data_2mf0_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 2mf0 _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 ' 1' ' ' MET . . . . . . . . . . . . . 35.2 ttp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 111.6 23.53 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.607 0.639 . . . . 0.0 109.534 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.65 134.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.367 0.667 . . . . 0.0 109.222 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.4 mt -133.73 153.61 51.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.45 1.1 . . . . 0.0 109.536 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -119.4 100.89 7.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -96.01 166.15 11.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.075 0.55 . . . . 0.0 110.379 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 159.06 35.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.138 0.575 . . . . 0.0 109.464 169.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -46.33 120.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.414 0.686 . . . . 0.0 111.036 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -14.51 57.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.722 1.153 . . . . 0.0 114.183 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.72 165.46 18.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.333 1.567 . . . . 0.0 112.399 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.7 m -135.7 152.83 51.56 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.434 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.0 mm -114.74 155.3 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 125.73 1.612 . . . . 0.0 109.611 169.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.59 137.91 53.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.707 1.203 . . . . 0.0 109.963 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.78 125.97 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.117 0.967 . . . . 0.0 109.336 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.62 -128.94 35.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -129.53 5.0 5.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.848 0.859 . . . . 0.0 112.976 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -121.91 -28.98 4.36 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.38 134.7 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.817 0.735 . . . . 0.0 110.508 -170.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -129.49 141.53 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.762 0.825 . . . . 0.0 109.903 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -123.4 141.55 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.957 1.303 . . . . 0.0 108.279 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -137.46 136.68 37.99 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.22 100.8 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -26.33 58.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.792 -0.568 . . . . 0.0 111.248 -168.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.64 43.73 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 118.106 0.412 . . . . 0.0 113.646 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.76 151.07 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.801 0.84 . . . . 0.0 111.368 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -139.56 63.12 1.5 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.352 1.061 . . . . 0.0 110.096 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.17 -120.73 5.51 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HB3' ' HE2' ' B' ' 7' ' ' LYS . 33.0 tt0 -82.12 -11.37 58.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.188 0.595 . . . . 0.0 112.299 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -101.21 149.12 24.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.896 0.855 . . . . 0.0 113.233 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.14 128.03 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 126.625 1.97 . . . . 0.0 108.411 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -94.72 101.93 13.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.155 0.982 . . . . 0.0 109.416 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -108.02 136.74 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.097 0.959 . . . . 0.0 109.475 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.53 138.01 14.55 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.039 0.828 . . . . 0.0 111.677 170.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.42 135.21 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.034 1.334 . . . . 0.0 108.598 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -126.54 75.04 1.51 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 122.131 0.967 . . . . 0.0 109.675 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.34 154.15 38.53 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.154 -1.384 . . . . 0.0 110.765 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.06 154.91 52.72 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.665 2.243 . . . . 0.0 110.439 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -68.82 -3.91 14.22 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.34 -25.45 65.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.871 0.868 . . . . 0.0 111.952 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -116.37 144.08 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.828 0.823 . . . . 0.0 111.587 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.09 143.03 34.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.925 0.89 . . . . 0.0 110.748 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.97 126.21 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 170.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -150.99 157.16 42.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.684 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -74.14 162.53 28.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.598 0.359 . . . . 0.0 111.517 169.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -73.27 -25.52 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 O-C-N 122.006 -0.434 . . . . 0.0 112.057 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.8 -19.97 64.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.837 1.255 . . . . 0.0 112.751 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -120.58 -26.33 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.386 1.074 . . . . 0.0 110.968 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 . . . . . 0 N--CA 1.451 -0.376 0 O-C-N 121.25 -0.906 . . . . 0.0 110.792 -176.42 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -129.16 115.24 17.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.461 1.505 . . . . 0.0 108.213 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.06 138.55 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.86 0.864 . . . . 0.0 111.389 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -141.72 146.13 35.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.831 1.253 . . . . 0.0 111.066 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -91.51 129.18 37.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 166.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -122.85 127.67 49.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.396 0.679 . . . . 0.0 110.029 170.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 28' ' ' GLN . 26.8 mttt -77.33 153.45 33.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.97 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 28.1 m -57.26 129.84 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.491 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.57 -8.92 64.31 Favored Glycine 0 CA--C 1.527 0.781 0 CA-C-O 119.057 -0.857 . . . . 0.0 114.868 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -88.48 165.2 15.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.126 1.463 . . . . 0.0 111.771 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.38 156.95 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mm -135.81 152.21 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 127.157 2.183 . . . . 0.0 108.514 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.39 141.93 49.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.529 1.132 . . . . 0.0 110.64 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.29 128.67 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.132 0.973 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.99 -134.05 52.5 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.74 4.98 6.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.744 0.818 . . . . 0.0 112.731 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -114.73 -21.34 10.24 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.62 136.22 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.94 0.791 . . . . 0.0 111.146 -169.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -131.27 147.9 52.63 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.656 1.182 . . . . 0.0 110.012 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.4 mm -129.19 141.61 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.918 1.687 . . . . 0.0 108.031 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -138.61 128.68 25.47 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.846 0.459 . . . . 0.0 110.241 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.27 113.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -81.47 -32.26 32.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.943 -0.473 . . . . 0.0 111.052 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.12 -178.7 36.96 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 113.345 0.098 . . . . 0.0 113.345 170.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -113.56 155.2 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.235 0.614 . . . . 0.0 111.004 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -139.18 81.0 1.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.941 0.897 . . . . 0.0 108.907 170.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.26 -116.52 4.22 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -102.89 12.62 35.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.594 0.757 . . . . 0.0 110.703 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.02 155.92 17.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.875 0.87 . . . . 0.0 110.669 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -144.1 112.18 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.588 1.155 . . . . 0.0 108.817 -169.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.12 119.31 28.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 0.0 109.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.27 133.19 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.208 1.003 . . . . 0.0 109.924 -169.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.12 138.29 13.85 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.52 133.59 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.748 0.819 . . . . 0.0 109.362 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -133.06 76.87 1.71 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.416 -168.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.18 157.33 64.56 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 113.915 -1.493 . . . . 0.0 109.766 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.32 156.82 38.64 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.135 1.89 . . . . 0.0 111.199 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -68.72 -0.82 5.77 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.825 0.85 . . . . 0.0 112.237 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.79 -26.76 67.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.151 1.38 . . . . 0.0 111.284 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.45 144.07 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.461 1.105 . . . . 0.0 110.169 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -87.22 142.05 28.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.542 0.687 . . . . 0.0 111.182 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.71 98.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.92 -166.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.432 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -146.75 158.55 43.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.968 -0.457 . . . . 0.0 112.07 178.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.4 ptt-85 -64.48 156.23 30.28 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.111 0.564 . . . . 0.0 111.209 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -54.94 -41.57 71.21 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.341 0.656 . . . . 0.0 112.684 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.64 -23.11 67.24 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.06 -50.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.113 0.565 . . . . 0.0 110.601 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -47.11 -42.48 19.23 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.54 0.736 . . . . 0.0 110.925 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.46 -12.0 60.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -169.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -88.82 -36.38 16.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 119.516 1.053 . . . . 0.0 112.129 169.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -64.12 -61.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.196 0.998 . . . . 0.0 112.654 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.74 2.49 3.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.73 -0.606 . . . . 0.0 112.568 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.34 -19.38 60.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.316 0.646 . . . . 0.0 112.008 170.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.24 34.8 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 CA-C-O 119.321 -0.71 . . . . 0.0 114.348 169.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -166.25 -175.93 3.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.158 0.979 . . . . 0.0 112.75 -167.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.413 HG21 ' H ' ' B' ' 57' ' ' ALA . 2.9 m -133.54 -176.8 4.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.604 1.162 . . . . 0.0 109.139 169.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.413 ' H ' HG21 ' B' ' 56' ' ' THR . . . -39.52 123.91 1.43 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.069 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -41.26 -44.15 5.52 Favored 'Trans proline' 0 N--CA 1.452 -0.932 1 C-N-CA 126.025 4.484 . . . . 0.0 117.858 -168.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -167.216 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 109.93 20.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 166.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.07 134.96 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.655 0.782 . . . . 0.0 109.796 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.54 134.89 50.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.074 0.95 . . . . 0.0 109.263 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -89.28 143.84 26.54 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 169.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -145.97 123.89 12.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -73.56 149.94 41.81 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -56.37 136.72 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 118.84 0.746 . . . . 0.0 111.444 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -6.73 82.67 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.519 1.057 . . . . 0.0 114.411 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -87.37 172.43 9.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.222 1.511 . . . . 0.0 111.898 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -129.06 159.64 35.3 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -168.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.23 159.65 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 127.482 2.313 . . . . 0.0 108.245 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -132.56 149.15 52.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.044 0.938 . . . . 0.0 112.17 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.53 136.67 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.703 1.201 . . . . 0.0 108.963 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.58 -139.85 44.36 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.656 0.646 . . . . 0.0 111.593 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -121.56 10.0 10.34 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.084 0.953 . . . . 0.0 112.095 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.55 -14.46 7.78 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.92 137.59 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.003 0.82 . . . . 0.0 111.465 -169.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -123.05 138.99 54.53 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.75 1.22 . . . . 0.0 109.336 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -118.11 139.55 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.803 1.241 . . . . 0.0 108.359 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -134.03 129.0 35.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.92 -0.488 . . . . 0.0 110.389 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 tp -83.35 120.91 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.33 -39.39 10.06 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -172.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.47 179.69 43.45 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.746 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.36 151.81 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.296 0.639 . . . . 0.0 110.21 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -149.36 96.99 2.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.83 -139.86 24.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -168.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.6 2.05 39.2 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.927 0.491 . . . . 0.0 111.319 167.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 148.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.209 1.004 . . . . 0.0 110.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.32 114.17 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -82.51 112.81 19.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.4 136.44 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.028 1.331 . . . . 0.0 109.61 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.61 138.62 14.5 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 124.344 0.973 . . . . 0.0 111.569 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -126.26 118.88 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 124.359 1.064 . . . . 0.0 108.688 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -119.16 97.78 5.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.984 0.514 . . . . 0.0 110.171 -173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.69 157.19 72.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.465 1.106 . . . . 0.0 110.123 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.32 151.09 84.58 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.669 2.246 . . . . 0.0 111.087 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.18 -0.94 2.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.414 0.685 . . . . 0.0 112.644 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.89 -22.78 66.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.348 1.059 . . . . 0.0 111.424 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.48 147.65 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.229 1.012 . . . . 0.0 110.49 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.6 156.84 19.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.638 0.375 . . . . 0.0 111.364 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 m -138.3 131.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.302 0.641 . . . . 0.0 109.68 171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -157.0 160.66 39.23 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.026 0.531 . . . . 0.0 112.088 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -70.3 153.2 43.31 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.69 -31.91 72.89 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.997 0.817 . . . . 0.0 111.738 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.08 -22.32 63.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.06 -35.6 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.566 0.746 . . . . 0.0 110.451 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.77 -32.79 60.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.994 0.918 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.87 -25.3 68.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -69.45 -37.66 77.43 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.233 0.613 . . . . 0.0 111.311 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.454 -0.257 0 O-C-N 122.11 -0.369 . . . . 0.0 110.045 178.584 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.0 tpp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.61 112.19 20.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.865 1.666 . . . . 0.0 107.863 168.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.2 140.93 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.621 1.168 . . . . 0.0 109.746 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -155.48 156.61 35.56 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.862 0.865 . . . . 0.0 110.984 172.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.3 145.57 24.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.24 144.24 44.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.69 0.796 . . . . 0.0 109.139 167.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -80.91 158.71 25.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -61.0 133.39 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.245 0.545 . . . . 0.0 111.254 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.25 -0.97 81.99 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.988 0.804 . . . . 0.0 113.739 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.66 167.62 12.77 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.6 1.2 . . . . 0.0 112.093 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -122.18 161.83 22.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -168.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -150.28 162.0 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 128.109 2.563 . . . . 0.0 108.075 -168.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -143.09 152.98 42.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.935 0.894 . . . . 0.0 112.567 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -134.94 140.57 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.787 1.235 . . . . 0.0 109.196 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.61 50.2 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -126.16 9.97 7.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.116 0.966 . . . . 0.0 111.565 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -135.22 -13.33 2.09 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.29 137.23 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 118.753 0.706 . . . . 0.0 110.416 -171.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 49.5 m -117.58 145.12 44.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.189 0.996 . . . . 0.0 109.409 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -128.75 144.25 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.87 1.268 . . . . 0.0 107.75 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -137.73 138.96 39.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.26 105.59 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 169.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 mt -78.96 -33.57 45.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.463 -0.773 . . . . 0.0 111.203 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.31 -175.08 44.36 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 118.065 0.393 . . . . 0.0 113.058 169.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.7 158.18 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.163 0.585 . . . . 0.0 111.238 169.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -144.12 79.93 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.091 0.956 . . . . 0.0 109.478 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -116.9 4.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.417 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mt-30 -90.59 -8.45 50.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.612 0.765 . . . . 0.0 110.604 172.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -79.81 159.36 26.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.671 0.748 . . . . 0.0 112.356 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.92 125.27 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 125.303 1.441 . . . . 0.0 108.487 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -79.61 114.49 18.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.47 125.03 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.48 134.11 11.62 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.14 140.42 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.828 0.851 . . . . 0.0 108.923 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -138.05 89.94 2.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.356 0.663 . . . . 0.0 109.239 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.13 67.16 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.463 1.105 . . . . 0.0 109.396 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.32 150.52 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 121.805 1.67 . . . . 0.0 110.274 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -64.5 -0.99 1.53 Allowed 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.43 0.692 . . . . 0.0 112.374 169.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.84 -24.57 66.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.102 1.361 . . . . 0.0 111.248 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.58 159.3 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.456 1.103 . . . . 0.0 110.67 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.13 157.04 16.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 112.255 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.18 125.0 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 168.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -148.76 165.86 30.17 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.212 0.605 . . . . 0.0 111.469 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.3 156.53 28.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.105 0.562 . . . . 0.0 110.158 168.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.74 -38.67 85.93 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.492 0.587 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pm0 -69.03 -19.72 64.11 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mm -92.83 -40.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.93 0.892 . . . . 0.0 111.1 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -46.37 -38.08 8.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.32 1.448 . . . . 0.0 111.894 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.57 -25.45 68.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.586 1.154 . . . . 0.0 113.617 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.25 -48.51 34.26 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 119.132 0.878 . . . . 0.0 109.818 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 122.902 0.481 . . . . 0.0 110.243 -179.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.09 134.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.901 1.28 . . . . 0.0 108.74 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -138.44 164.69 28.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.624 1.169 . . . . 0.0 111.15 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.17 98.24 4.36 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 168.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -105.04 132.34 51.4 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.514 1.526 . . . . 0.0 111.745 -169.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -80.54 157.2 26.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -61.25 136.03 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.292 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.11 -2.75 84.08 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.06 0.838 . . . . 0.0 114.249 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.04 168.18 10.77 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.842 1.321 . . . . 0.0 111.487 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -129.34 159.84 34.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -137.72 158.1 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 126.902 2.081 . . . . 0.0 107.852 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -136.59 148.66 47.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 112.804 -174.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -137.71 137.11 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.658 1.183 . . . . 0.0 109.061 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -137.67 49.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 10.06 7.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.881 0.873 . . . . 0.0 112.46 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -126.89 -12.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.43 136.24 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.153 0.888 . . . . 0.0 111.268 -169.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -126.27 141.23 52.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.706 1.203 . . . . 0.0 109.809 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -120.47 142.03 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.236 1.415 . . . . 0.0 108.06 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.0 m -137.98 127.85 25.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.709 0.404 . . . . 0.0 109.946 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.26 106.45 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.75 -31.87 59.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 110.605 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.2 -177.56 34.0 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 122.961 0.315 . . . . 0.0 113.557 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.44 155.87 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.737 0.815 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.27 89.97 1.77 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.493 1.117 . . . . 0.0 109.333 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.71 -112.13 4.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.29 -22.93 20.31 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.511 0.655 . . . . 0.0 111.611 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.66 146.53 44.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.387 0.613 . . . . 0.0 110.113 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.39 117.21 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -88.04 124.35 33.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.45 127.63 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.778 0.831 . . . . 0.0 110.323 -168.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.6 140.18 15.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.137 0.875 . . . . 0.0 111.497 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.82 119.15 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.025 1.33 . . . . 0.0 108.721 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -122.24 99.0 6.19 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.08 0.552 . . . . 0.0 109.595 -171.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.56 155.76 73.49 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.435 1.094 . . . . 0.0 110.445 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.97 159.46 33.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -68.47 -0.97 5.6 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 123.483 0.713 . . . . 0.0 112.675 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.83 -24.47 67.56 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.883 1.273 . . . . 0.0 111.565 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.3 153.51 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.318 1.047 . . . . 0.0 110.509 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.92 157.46 18.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.79 128.85 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 122.753 0.421 . . . . 0.0 110.293 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -148.13 167.87 23.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.765 1.226 . . . . 0.0 109.051 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -72.44 159.19 34.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.263 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.81 -18.92 65.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.048 0.539 . . . . 0.0 111.948 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.69 -51.22 68.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.948 0.899 . . . . 0.0 112.113 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -75.31 -35.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.534 0.734 . . . . 0.0 109.796 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 112.149 176.687 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 119.876 -0.107 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.12 151.05 20.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.048 -0.408 . . . . 0.0 111.542 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.85 124.55 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 168.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.09 154.26 26.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.161 1.784 . . . . 0.0 108.996 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 105.76 10.81 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 168.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 128.38 56.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.047 1.339 . . . . 0.0 109.981 -169.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -93.52 164.82 13.03 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.204 0.911 . . . . 0.0 112.624 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -57.9 135.53 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.56 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.3 -4.08 80.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 114.156 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -97.03 169.8 9.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.548 1.174 . . . . 0.0 111.575 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.93 166.71 22.7 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -169.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -145.63 150.47 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 126.939 2.095 . . . . 0.0 108.362 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.84 47.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.39 0.541 . . . . 0.0 112.307 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -135.59 137.18 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.316 1.446 . . . . 0.0 109.033 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.53 -132.77 47.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -122.98 5.29 9.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.786 0.834 . . . . 0.0 112.008 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -141.13 -18.54 0.81 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.93 127.36 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 119.339 0.972 . . . . 0.0 110.268 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -118.34 137.6 52.98 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.587 0.755 . . . . 0.0 110.07 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mm -117.06 143.07 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.041 1.336 . . . . 0.0 108.407 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -137.91 131.41 30.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.464 0.706 . . . . 0.0 109.853 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.59 110.72 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -82.39 -28.28 31.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.396 0.678 . . . . 0.0 110.914 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.18 -176.9 33.47 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 123.73 0.681 . . . . 0.0 112.908 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.56 147.66 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.313 0.645 . . . . 0.0 111.369 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -137.52 89.84 2.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.506 1.122 . . . . 0.0 108.366 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.73 -119.16 11.41 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.1 -17.9 38.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.658 0.783 . . . . 0.0 112.528 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 146.11 29.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.431 0.634 . . . . 0.0 110.175 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.84 123.04 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -87.88 120.91 29.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.08 143.09 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 124.138 0.975 . . . . 0.0 110.162 -168.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 141.75 14.47 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 124.177 0.894 . . . . 0.0 111.865 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.25 131.73 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.866 1.267 . . . . 0.0 109.194 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -127.37 106.42 9.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.09 0.956 . . . . 0.0 109.193 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.7 157.06 77.77 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.796 0.839 . . . . 0.0 111.713 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.49 161.1 39.73 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 123.083 2.522 . . . . 0.0 112.08 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -71.18 -4.29 24.75 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.26 0.624 . . . . 0.0 112.642 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.58 -20.51 63.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.737 1.215 . . . . 0.0 112.512 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.89 164.34 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.671 0.789 . . . . 0.0 111.394 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.52 162.56 13.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.378 0.671 . . . . 0.0 111.444 170.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 127.0 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.342 0.657 . . . . 0.0 110.121 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -153.38 172.12 17.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.275 1.03 . . . . 0.0 110.14 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.42 162.67 27.03 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.725 -0.609 . . . . 0.0 109.809 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -60.58 -29.67 69.33 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.73 -43.15 76.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.165 0.986 . . . . 0.0 111.922 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -90.99 -31.75 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.192 0.997 . . . . 0.0 110.276 -172.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 63.5 t80 . . . . . 0 N--CA 1.453 -0.314 0 C-N-CA 124.376 1.07 . . . . 0.0 112.808 177.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 110.58 23.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.491 0.716 . . . . 0.0 109.207 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.09 130.22 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.78 160.26 33.99 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.345 1.058 . . . . 0.0 109.795 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.5 m -123.71 128.91 50.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.6 171.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.775 0.83 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -133.75 157.09 46.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.64 118.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-O 120.531 0.205 . . . . 0.0 110.625 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.97 -5.39 50.25 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.575 1.083 . . . . 0.0 114.838 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -94.85 168.67 10.66 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.045 1.423 . . . . 0.0 112.229 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -139.92 154.29 47.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.62 156.32 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 125.984 1.714 . . . . 0.0 109.438 170.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.21 139.94 52.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.49 1.116 . . . . 0.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.2 mt -133.99 131.74 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.169 0.988 . . . . 0.0 109.494 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.62 -131.77 34.74 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 5.04 4.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.898 0.879 . . . . 0.0 112.912 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -127.2 -24.86 3.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -100.1 138.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 118.759 0.709 . . . . 0.0 110.539 -169.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.66 146.05 45.51 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.7 0.8 . . . . 0.0 109.591 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -127.6 140.76 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.705 1.202 . . . . 0.0 108.304 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -138.21 136.11 36.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.471 0.578 . . . . 0.0 110.36 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -85.53 100.62 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.64 -31.35 63.46 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.155 -0.34 . . . . 0.0 110.128 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.5 -170.69 43.24 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 122.997 0.332 . . . . 0.0 112.938 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.2 158.47 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.561 0.745 . . . . 0.0 111.98 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -140.38 70.1 1.36 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.968 1.307 . . . . 0.0 109.823 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.69 -118.66 5.82 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.35 -6.15 52.23 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.416 0.686 . . . . 0.0 111.609 173.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.95 157.88 16.02 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.926 0.869 . . . . 0.0 112.627 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.0 t -143.09 125.5 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 126.709 2.004 . . . . 0.0 107.939 -169.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -110.24 101.99 10.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.383 0.611 . . . . 0.0 110.622 -172.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -106.63 135.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.563 1.545 . . . . 0.0 109.611 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.28 139.55 14.86 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 123.806 0.717 . . . . 0.0 111.532 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.98 133.98 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.293 1.437 . . . . 0.0 108.156 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -122.06 75.0 1.19 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.6 1.16 . . . . 0.0 109.206 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.35 153.82 42.53 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 125.102 1.361 . . . . 0.0 110.805 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.41 153.9 55.68 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.6 2.2 . . . . 0.0 110.497 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.6 -4.15 14.35 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.09 -25.41 64.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.961 0.904 . . . . 0.0 112.135 169.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.87 144.07 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.727 0.775 . . . . 0.0 111.505 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.47 143.05 29.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.888 0.875 . . . . 0.0 110.707 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.67 128.79 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 122.647 0.379 . . . . 0.0 110.413 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -150.32 -175.9 5.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.696 1.198 . . . . 0.0 109.714 -172.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -129.12 167.46 17.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 171.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.02 -37.58 83.06 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.43 -5.82 35.67 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -119.21 -26.88 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.994 1.318 . . . . 0.0 111.09 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.452 -0.357 0 O-C-N 121.481 -0.762 . . . . 0.0 110.334 -173.643 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -110.46 121.93 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.11 139.8 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 122.804 0.442 . . . . 0.0 111.56 -166.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.1 mt -135.52 135.03 40.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.266 1.027 . . . . 0.0 111.117 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.2 m -94.37 121.54 36.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.84 160.54 24.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.329 1.452 . . . . 0.0 109.028 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -120.23 163.01 18.42 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 119.215 0.916 . . . . 0.0 111.122 167.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -62.66 125.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 121.383 0.611 . . . . 0.0 110.464 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.63 -4.59 58.09 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-O 118.812 -0.994 . . . . 0.0 115.083 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.92 166.38 13.98 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.407 1.603 . . . . 0.0 111.447 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -129.87 153.99 47.75 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.727 0.811 . . . . 0.0 112.324 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 19.4 mt -131.38 154.41 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.539 1.936 . . . . 0.0 109.43 -175.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -135.63 139.65 43.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.728 -0.607 . . . . 0.0 111.705 -173.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -133.07 128.23 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.344 1.058 . . . . 0.0 109.505 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -135.12 52.08 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.09 4.9 6.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.793 0.837 . . . . 0.0 112.775 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.78 -21.3 11.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.66 135.26 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.847 0.749 . . . . 0.0 111.283 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -130.21 149.26 51.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.919 1.288 . . . . 0.0 109.652 170.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.49 146.46 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.764 1.625 . . . . 0.0 108.002 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -138.64 132.38 30.84 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.078 -0.389 . . . . 0.0 110.257 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.42 96.74 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.63 -31.81 71.22 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.933 -0.479 . . . . 0.0 111.133 -174.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.87 -174.58 37.52 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 113.399 0.12 . . . . 0.0 113.399 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -114.72 152.03 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.246 0.618 . . . . 0.0 110.961 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -132.91 77.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.87 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -115.8 4.09 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.442 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.23 16.7 24.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 111.488 171.065 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -99.01 159.08 15.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.41 1.084 . . . . 0.0 109.63 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.19 118.6 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.415 1.086 . . . . 0.0 109.498 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.29 123.65 36.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.046 1.338 . . . . 0.0 109.608 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.0 131.06 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.052 0.941 . . . . 0.0 110.324 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.18 138.71 14.18 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.9 131.4 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.842 0.83 . . . . 0.0 109.543 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 74.97 1.6 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.495 -1.229 . . . . 0.0 109.505 -168.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.16 157.15 51.64 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.357 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.33 155.35 41.26 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.732 1.621 . . . . 0.0 109.825 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -0.84 11.2 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.879 0.847 . . . . 0.0 111.136 174.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.71 -25.36 67.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.301 1.84 . . . . 0.0 111.257 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.65 144.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.456 1.102 . . . . 0.0 109.999 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.88 141.63 30.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.663 0.744 . . . . 0.0 111.487 170.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.55 99.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.509 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 156.95 44.44 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.234 0.54 . . . . 0.0 112.335 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -62.53 153.15 32.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.616 0.766 . . . . 0.0 111.011 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -55.26 -40.01 70.46 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.098 0.559 . . . . 0.0 112.421 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -64.97 -17.0 64.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -91.63 -50.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.047 0.939 . . . . 0.0 110.592 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -51.22 -36.25 40.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.299 1.04 . . . . 0.0 111.857 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -70.73 -20.78 62.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.59 -39.93 26.68 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.481 1.037 . . . . 0.0 110.33 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.15 -40.77 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -80.45 5.0 16.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.79 38.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 111.75 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.36 45.74 0.07 OUTLIER Glycine 0 C--N 1.339 0.699 0 CA-C-O 119.312 -0.716 . . . . 0.0 114.711 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.05 -176.08 2.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.065 0.933 . . . . 0.0 113.021 -168.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.8 p -126.55 -179.15 4.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.552 1.541 . . . . 0.0 109.23 167.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.44 123.88 2.84 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.37 1.068 . . . . 0.0 112.093 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -65.39 175.86 3.81 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.513 2.142 . . . . 0.0 114.247 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.017 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.07 19.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.465 1.106 . . . . 0.0 108.291 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.88 133.49 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.933 0.893 . . . . 0.0 109.468 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.07 140.54 50.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.292 1.037 . . . . 0.0 110.011 169.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -100.55 140.37 34.91 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.586 0.355 . . . . 0.0 110.842 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.64 140.03 42.47 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.559 0.744 . . . . 0.0 110.75 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.2 tptm -76.51 153.64 35.31 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.33 133.66 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.159 0.89 . . . . 0.0 111.462 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.22 -3.47 79.99 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.723 1.154 . . . . 0.0 114.305 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -88.11 177.24 6.97 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.421 1.61 . . . . 0.0 112.51 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -138.6 158.43 44.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -167.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -139.91 158.74 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 128.006 2.523 . . . . 0.0 108.031 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -131.68 149.92 52.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.164 0.986 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -134.55 136.41 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 108.992 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.65 41.32 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.756 0.694 . . . . 0.0 111.558 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.14 10.05 10.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.274 1.03 . . . . 0.0 111.74 169.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -120.61 -16.17 8.33 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.551 1.14 . . . . 0.0 113.144 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.95 139.22 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 118.965 0.802 . . . . 0.0 111.773 -169.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -125.08 143.05 51.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.893 1.277 . . . . 0.0 109.449 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mm -123.75 140.84 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.182 1.393 . . . . 0.0 108.361 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -136.37 135.88 39.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.796 0.438 . . . . 0.0 110.685 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.06 112.93 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 167.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.8 -37.66 20.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.867 -0.521 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -174.54 43.0 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.112 169.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.03 154.22 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -146.49 100.15 3.31 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.767 1.227 . . . . 0.0 108.997 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.85 -120.02 17.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -170.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.38 1.74 47.23 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.934 0.893 . . . . 0.0 111.823 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 26.4 mt-30 -91.69 156.34 17.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.858 0.837 . . . . 0.0 111.767 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.14 123.85 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.92 1.288 . . . . 0.0 108.389 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -83.13 115.89 22.1 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 169.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.74 122.82 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.062 1.345 . . . . 0.0 109.563 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 138.85 15.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 125.117 1.342 . . . . 0.0 111.712 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.0 mt -132.82 135.02 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.98 92.04 2.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.66 156.19 79.76 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.03 0.932 . . . . 0.0 110.379 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.6 152.75 76.01 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.578 2.185 . . . . 0.0 111.053 170.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.45 -1.19 4.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.91 -19.73 65.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.795 1.238 . . . . 0.0 111.372 168.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.18 149.4 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.072 0.949 . . . . 0.0 110.774 172.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 156.39 20.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.103 0.561 . . . . 0.0 111.419 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.0 131.02 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 110.032 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -157.01 165.03 37.29 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.482 0.713 . . . . 0.0 111.701 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -77.64 160.69 28.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 166.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.34 -28.79 70.0 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.236 0.615 . . . . 0.0 112.003 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.17 -45.84 83.32 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.042 0.937 . . . . 0.0 111.305 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -90.88 -29.24 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.74 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -48.83 -38.99 23.82 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.302 0.641 . . . . 0.0 111.73 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -52.67 -20.84 3.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 126.623 1.969 . . . . 0.0 114.172 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -87.22 -38.49 16.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . 0.457 ' H ' HD12 ' C' ' 51' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.463 0.201 0 C-N-CA 125.44 1.496 . . . . 0.0 112.72 -168.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -122.62 114.84 21.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.45 1.5 . . . . 0.0 107.325 166.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.16 124.81 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.812 1.245 . . . . 0.0 108.662 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -112.42 169.17 9.06 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.419 1.088 . . . . 0.0 110.339 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -136.61 109.89 7.84 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.918 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -126.79 149.05 49.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.763 0.825 . . . . 0.0 111.081 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 15.1 mmtp -75.78 160.96 29.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 111.657 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.82 139.67 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.15 0.58 . . . . 0.0 111.622 169.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.64 -3.78 86.67 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.421 1.01 . . . . 0.0 113.798 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -87.79 169.8 11.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.979 1.389 . . . . 0.0 112.809 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -128.05 154.47 45.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.938 0.895 . . . . 0.0 112.349 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -146.26 158.94 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 127.234 2.214 . . . . 0.0 108.263 -170.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -137.99 152.32 48.78 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.298 -0.876 . . . . 0.0 112.747 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.83 138.02 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.985 1.314 . . . . 0.0 108.962 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -135.17 51.95 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.39 10.02 5.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.103 0.961 . . . . 0.0 112.422 172.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -125.15 -14.83 6.46 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.94 138.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 118.903 0.774 . . . . 0.0 111.027 -169.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -122.96 146.81 47.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.529 1.132 . . . . 0.0 109.769 174.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.04 141.67 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.59 1.556 . . . . 0.0 107.949 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -139.46 131.14 27.33 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -88.25 109.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 169.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -83.14 -28.55 29.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.366 0.666 . . . . 0.0 110.7 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.48 -174.06 38.82 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 122.662 0.172 . . . . 0.0 112.816 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.04 160.24 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 122.891 0.476 . . . . 0.0 110.888 169.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.1 m -146.68 76.32 1.43 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.646 1.178 . . . . 0.0 108.916 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -120.14 5.88 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.1 mp0 -89.38 -11.66 42.58 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 110.915 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.07 151.22 28.45 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.638 0.732 . . . . 0.0 111.221 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.64 128.9 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.941 1.297 . . . . 0.0 107.568 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -96.83 115.25 27.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.032 0.933 . . . . 0.0 108.89 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.78 124.49 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.432 0.693 . . . . 0.0 110.335 -168.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.84 141.14 15.9 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.821 1.201 . . . . 0.0 110.922 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -134.44 135.51 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -138.04 89.93 2.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -171.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.98 155.82 54.99 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.636 1.174 . . . . 0.0 109.524 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.54 150.28 86.02 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.032 1.821 . . . . 0.0 110.524 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.67 -1.12 6.21 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.68 -23.19 66.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.903 1.281 . . . . 0.0 111.54 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -124.07 160.0 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.263 1.025 . . . . 0.0 110.716 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.09 16.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.28 0.632 . . . . 0.0 112.336 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.69 127.44 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 O-C-N 121.928 -0.483 . . . . 0.0 110.216 168.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.08 166.58 30.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.81 . . . . 0.0 111.541 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.77 156.67 19.8 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.33 -36.93 79.08 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.656 -0.652 . . . . 0.0 111.507 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.85 -21.51 66.02 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.11 -38.23 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.253 1.021 . . . . 0.0 111.102 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -47.29 -38.38 12.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.157 1.383 . . . . 0.0 111.849 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.81 -24.93 67.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.632 1.173 . . . . 0.0 113.506 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.51 -48.05 36.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 119.181 0.901 . . . . 0.0 109.694 172.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.452 -0.332 0 C-N-CA 122.964 0.505 . . . . 0.0 110.354 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.91 139.2 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.162 0.985 . . . . 0.0 109.254 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.53 164.52 27.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.379 1.472 . . . . 0.0 110.684 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -125.81 99.05 5.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 130.44 53.09 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.86 1.264 . . . . 0.0 110.944 -170.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.83 159.21 18.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.155 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.06 136.06 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.688 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.75 -2.98 80.92 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.117 0.865 . . . . 0.0 114.341 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -97.38 173.74 7.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.641 1.221 . . . . 0.0 111.543 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -134.18 158.73 42.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -133.07 155.2 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 126.73 2.012 . . . . 0.0 107.688 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.94 144.63 43.53 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.505 -0.747 . . . . 0.0 111.805 -169.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 54.0 mt -137.15 136.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.399 1.08 . . . . 0.0 109.417 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.39 -136.89 50.64 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -126.83 10.0 7.01 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.931 0.892 . . . . 0.0 112.445 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -128.28 -12.76 5.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 134.62 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 119.186 0.903 . . . . 0.0 111.009 -170.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 58.2 m -131.42 144.15 50.98 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.328 1.051 . . . . 0.0 110.275 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -120.77 142.99 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.898 1.679 . . . . 0.0 107.838 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -136.05 125.91 25.77 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.902 0.481 . . . . 0.0 109.992 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -78.86 106.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.91 -30.16 56.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.972 -0.455 . . . . 0.0 110.911 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 -174.52 34.9 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.017 0.342 . . . . 0.0 113.667 170.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.13 157.64 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 C-N-CA 123.622 0.769 . . . . 0.0 112.27 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -150.05 91.0 1.73 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.24 -112.67 4.29 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 121.681 -0.637 . . . . 0.0 111.719 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -92.24 -18.0 24.03 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.745 0.773 . . . . 0.0 111.448 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -74.8 144.58 43.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.644 0.735 . . . . 0.0 110.091 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -141.12 110.66 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -87.5 125.97 34.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.98 133.15 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.157 0.583 . . . . 0.0 110.509 -168.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 145.32 17.68 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.568 1.08 . . . . 0.0 111.702 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.84 124.92 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.864 1.266 . . . . 0.0 108.926 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -124.51 100.09 6.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.385 0.674 . . . . 0.0 109.424 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.64 155.24 71.65 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -63.29 158.77 42.87 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.093 2.529 . . . . 0.0 112.137 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -72.63 -1.03 14.61 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.28 -21.06 66.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.327 1.051 . . . . 0.0 111.396 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -125.57 159.39 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 110.647 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.77 16.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.32 125.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.098 0.559 . . . . 0.0 110.668 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -151.81 166.55 31.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.264 1.026 . . . . 0.0 110.874 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -72.43 155.86 39.67 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -58.91 -29.61 67.18 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.709 0.404 . . . . 0.0 111.8 -172.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.46 -51.6 68.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.439 1.095 . . . . 0.0 111.94 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -74.9 -33.26 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.839 1.256 . . . . 0.0 109.972 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 123.713 0.805 . . . . 0.0 112.138 177.732 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.17 148.33 22.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.948 -0.47 . . . . 0.0 111.651 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.81 135.74 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.817 0.847 . . . . 0.0 109.398 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.27 162.01 29.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.65 1.18 . . . . 0.0 110.02 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 97.96 4.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -105.06 162.09 13.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.853 1.261 . . . . 0.0 110.82 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -116.83 168.51 10.16 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -53.85 134.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.356 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 -11.61 65.1 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.513 1.054 . . . . 0.0 114.804 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.02 175.65 6.79 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.402 1.601 . . . . 0.0 113.048 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -138.65 156.04 47.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 40.7 mm -128.76 155.06 40.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 126.557 1.943 . . . . 0.0 108.381 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -121.17 148.65 43.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.669 0.788 . . . . 0.0 112.071 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.58 140.24 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.657 1.183 . . . . 0.0 108.836 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.65 -132.52 51.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.5 1.28 8.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.101 0.961 . . . . 0.0 111.938 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -138.14 -11.22 1.47 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.0 137.22 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.973 0.806 . . . . 0.0 110.511 -174.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -128.66 140.76 51.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.318 1.047 . . . . 0.0 110.044 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -118.3 139.76 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.085 1.354 . . . . 0.0 108.139 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 41.2 m -136.28 136.64 39.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.498 0.719 . . . . 0.0 110.27 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -96.86 106.7 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.07 -34.98 56.95 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.71 0.404 . . . . 0.0 110.072 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.59 -175.41 39.01 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 122.942 0.306 . . . . 0.0 113.301 169.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.12 151.31 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.444 0.698 . . . . 0.0 111.529 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 61.5 m -142.37 89.9 2.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.494 1.118 . . . . 0.0 108.624 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.99 -119.97 20.71 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -83.12 -24.84 32.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.367 0.584 . . . . 0.0 112.238 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -69.63 145.71 52.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.865 0.866 . . . . 0.0 110.85 173.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 t -137.61 119.64 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.75 112.49 18.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.578 0.751 . . . . 0.0 109.277 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.51 134.17 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.735 0.814 . . . . 0.0 110.383 -173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.27 142.46 15.76 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.59 1.09 . . . . 0.0 111.547 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.28 136.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.469 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -127.76 109.47 11.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.097 0.959 . . . . 0.0 108.952 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.44 157.41 77.47 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 123.523 0.729 . . . . 0.0 111.392 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.95 162.86 30.59 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.915 2.41 . . . . 0.0 112.214 172.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.32 -11.21 29.83 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.97 -20.35 66.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.35 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.96 162.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.161 0.984 . . . . 0.0 110.925 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.25 159.64 18.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.945 0.498 . . . . 0.0 111.078 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 124.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.969 0.507 . . . . 0.0 110.339 169.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -154.1 173.36 16.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.915 0.886 . . . . 0.0 111.117 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -80.46 163.68 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 167.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -19.17 65.12 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.27 -44.52 97.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.918 -0.489 . . . . 0.0 110.977 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -85.99 -35.39 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.474 0.71 . . . . 0.0 110.087 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.763 0.825 . . . . 0.0 112.022 177.025 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 110.33 22.91 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.653 0.661 . . . . 0.0 109.441 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.47 134.44 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.593 0.757 . . . . 0.0 109.076 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -131.38 155.25 47.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 109.647 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -116.2 101.04 8.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.99 138.61 45.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.72 0.808 . . . . 0.0 110.474 -169.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -105.23 154.29 20.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.432 0.293 . . . . 0.0 110.254 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -50.45 124.78 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.455 0.702 . . . . 0.0 111.072 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.59 -5.03 69.87 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.763 1.173 . . . . 0.0 114.331 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -93.12 169.39 10.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.829 1.315 . . . . 0.0 111.711 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -137.88 148.53 45.46 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 40.0 mm -109.5 153.92 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 125.875 1.67 . . . . 0.0 109.326 169.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -124.67 136.51 53.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.676 1.191 . . . . 0.0 109.57 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -130.93 131.1 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.103 0.961 . . . . 0.0 109.726 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 -127.98 29.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -124.4 -2.27 8.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.809 0.843 . . . . 0.0 112.661 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -135.61 -26.95 1.2 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -92.98 140.42 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.603 0.638 . . . . 0.0 110.302 -171.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -133.24 146.76 51.74 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.63 0.772 . . . . 0.0 109.327 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 mm -127.93 138.53 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.797 1.239 . . . . 0.0 107.983 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -133.97 132.52 40.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.448 0.567 . . . . 0.0 110.408 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.39 102.53 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.92 -29.85 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.981 -0.45 . . . . 0.0 110.11 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -171.07 40.45 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 113.796 0.278 . . . . 0.0 113.796 168.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.76 155.98 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -139.97 60.93 1.54 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.218 1.007 . . . . 0.0 110.721 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.66 -121.05 5.38 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -173.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.4 21.55 3.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.774 0.83 . . . . 0.0 111.812 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -138.87 159.49 42.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.956 0.902 . . . . 0.0 112.27 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 t -128.96 136.41 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 109.437 -167.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.04 103.59 12.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.01 0.924 . . . . 0.0 110.109 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.66 132.8 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.351 1.46 . . . . 0.0 109.289 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.51 139.0 14.55 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.729 0.68 . . . . 0.0 111.619 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -111.29 129.11 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.302 1.441 . . . . 0.0 108.168 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -118.38 74.94 0.98 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.322 1.049 . . . . 0.0 109.323 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.97 152.26 40.25 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.35 152.8 66.49 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.315 2.01 . . . . 0.0 110.181 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -70.39 -1.13 9.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.6 -25.53 63.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.179 0.992 . . . . 0.0 111.632 169.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.01 144.06 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.933 0.873 . . . . 0.0 111.732 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.0 32.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.08 0.952 . . . . 0.0 110.767 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 m -130.81 131.68 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.744 0.417 . . . . 0.0 110.136 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -151.44 -176.04 5.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.555 1.142 . . . . 0.0 110.38 -171.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.32 167.1 15.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 172.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -52.24 -53.73 40.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -166.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -76.69 -0.94 25.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.282 0.947 . . . . 0.0 113.19 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -106.5 -26.49 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.205 1.002 . . . . 0.0 110.321 169.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.451 -0.4 0 O-C-N 121.448 -0.783 . . . . 0.0 110.565 -177.679 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.58 122.34 45.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.328 1.451 . . . . 0.0 107.4 168.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.16 140.35 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -165.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -132.98 142.43 48.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.064 1.346 . . . . 0.0 110.453 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -114.17 110.53 20.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -130.87 144.68 51.64 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.094 0.958 . . . . 0.0 111.492 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -78.1 158.77 29.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 m -58.93 135.57 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.666 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.48 71.61 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.111 -0.827 . . . . 0.0 114.738 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -90.3 165.63 13.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.977 1.389 . . . . 0.0 112.112 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -128.8 156.47 43.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.714 0.769 . . . . 0.0 112.685 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -141.8 156.1 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.362 1.865 . . . . 0.0 108.804 -170.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.25 143.97 40.34 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.702 -0.624 . . . . 0.0 112.548 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -135.95 142.7 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 116.855 -1.545 . . . . 0.0 107.109 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 15.94 122.66 0.0 OUTLIER Glycine 0 C--N 1.34 0.779 0 CA-C-O 115.802 -2.665 . . . . 0.0 110.602 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.54 5.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 120.98 3.696 . . . . 0.0 120.98 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.9 m-20 -86.83 -21.35 26.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.677 1.191 . . . . 0.0 112.265 164.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -114.57 142.84 25.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 121.229 1.832 . . . . 0.0 113.229 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -139.39 151.59 46.42 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.898 1.279 . . . . 0.0 109.986 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.08 145.07 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 126.065 1.746 . . . . 0.0 108.583 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.4 m -138.74 130.75 28.1 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.099 0.56 . . . . 0.0 110.119 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.54 111.9 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 170.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.19 -31.03 38.81 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.125 -0.359 . . . . 0.0 110.978 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.87 179.69 33.89 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 122.57 0.129 . . . . 0.0 113.306 169.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.34 150.63 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.123 0.569 . . . . 0.0 110.903 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -133.56 78.37 1.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.568 1.147 . . . . 0.0 108.567 170.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.77 -116.7 4.7 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.68 7.28 43.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.283 0.633 . . . . 0.0 110.801 177.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 150.61 21.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.038 0.935 . . . . 0.0 110.034 169.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.14 115.64 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.291 0.636 . . . . 0.0 109.316 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.91 118.19 26.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.08 0.952 . . . . 0.0 109.575 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.96 132.17 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.146 0.978 . . . . 0.0 109.862 -169.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.77 138.15 13.93 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -120.33 132.63 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.838 0.828 . . . . 0.0 108.978 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -130.94 82.73 2.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.661 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.92 156.0 80.54 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.183 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -58.55 155.97 33.96 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.905 1.737 . . . . 0.0 110.808 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -72.54 -0.68 13.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.92 0.488 . . . . 0.0 111.999 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.9 -27.52 68.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.978 1.311 . . . . 0.0 112.068 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.42 144.08 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.706 0.802 . . . . 0.0 110.315 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.438 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -88.13 142.3 27.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.299 0.571 . . . . 0.0 111.504 170.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.14 96.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.855 -166.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.438 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.5 OUTLIER -145.75 159.69 42.82 Favored 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 121.674 -0.641 . . . . 0.0 111.522 179.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.9 ptt-85 -63.91 156.3 28.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.55 0.214 . . . . 0.0 111.308 169.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.48 -37.17 62.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.429 0.691 . . . . 0.0 112.356 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.46 -47.76 66.27 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.16 0.436 . . . . 0.0 110.988 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.46 -47.32 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.307 1.443 . . . . 0.0 110.037 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.67 -36.22 45.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.113 0.965 . . . . 0.0 111.59 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.41 -21.13 62.03 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -83.91 -37.77 21.94 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.371 0.987 . . . . 0.0 110.683 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.93 -41.9 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -79.55 5.1 13.88 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.61 -20.33 47.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.865 -0.522 . . . . 0.0 111.489 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.97 45.18 0.07 OUTLIER Glycine 0 C--N 1.338 0.661 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.546 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -176.09 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.062 0.931 . . . . 0.0 113.061 -168.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -125.24 178.74 5.41 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.568 1.547 . . . . 0.0 109.093 167.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.32 123.2 1.35 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 124.623 1.169 . . . . 0.0 112.297 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -66.84 -177.07 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.974 2.449 . . . . 0.0 113.566 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 124.013 0.925 . . . . 0.0 112.48 171.521 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 112.02 23.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 166.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.35 136.73 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.897 0.879 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.016 0.926 . . . . 0.0 109.595 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.55 144.51 25.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -146.06 157.97 43.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.2 tptm -91.82 153.58 19.48 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.27 1.028 . . . . 0.0 109.546 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.84 135.57 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 118.33 0.514 . . . . 0.0 111.74 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 -6.16 68.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.894 1.235 . . . . 0.0 114.698 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -92.12 176.05 6.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.318 1.559 . . . . 0.0 113.057 -173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -129.63 152.08 49.54 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -134.22 152.95 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 126.916 2.087 . . . . 0.0 108.676 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.55 145.91 44.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.014 0.925 . . . . 0.0 111.25 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -130.98 129.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.565 1.146 . . . . 0.0 108.597 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.68 -138.81 47.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -117.64 4.84 12.33 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.851 1.26 . . . . 0.0 111.078 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.7 -17.23 5.99 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -169.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.62 140.11 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.967 0.803 . . . . 0.0 110.874 -170.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -129.27 140.66 51.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 109.719 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -117.49 135.46 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 108.836 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -127.36 129.73 48.13 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.331 0.653 . . . . 0.0 110.047 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -88.86 117.06 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.61 -38.5 12.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.139 -0.351 . . . . 0.0 110.375 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.67 -178.58 42.59 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 113.809 0.283 . . . . 0.0 113.809 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.45 154.23 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.644 0.777 . . . . 0.0 110.467 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -151.45 106.27 3.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 108.607 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.7 -133.63 25.37 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.27 1.77 56.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.852 0.861 . . . . 0.0 111.993 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.85 151.72 21.62 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.989 0.915 . . . . 0.0 110.458 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.0 118.97 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 124.122 0.969 . . . . 0.0 108.664 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -77.98 112.12 14.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.473 0.579 . . . . 0.0 109.627 171.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.78 127.16 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.841 1.256 . . . . 0.0 109.658 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.89 139.22 14.36 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.298 0.951 . . . . 0.0 111.971 173.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.13 118.58 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.583 1.153 . . . . 0.0 108.498 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -116.39 92.05 3.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.089 0.556 . . . . 0.0 110.115 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.5 157.79 71.83 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.397 1.079 . . . . 0.0 110.067 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.39 153.89 71.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.622 2.215 . . . . 0.0 111.179 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.72 -1.01 3.31 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 123.293 0.637 . . . . 0.0 112.474 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -22.22 66.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.241 1.016 . . . . 0.0 111.334 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.02 148.93 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.42 156.99 19.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.711 0.404 . . . . 0.0 111.349 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -137.51 134.7 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.341 0.656 . . . . 0.0 109.231 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -155.57 160.8 40.79 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.684 0.675 . . . . 0.0 112.703 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -67.14 146.05 54.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 165.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.67 -31.74 70.97 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.812 0.733 . . . . 0.0 111.98 -173.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -54.59 -44.51 73.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.765 0.826 . . . . 0.0 111.528 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -85.2 -31.77 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.497 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -53.91 -37.25 63.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.669 0.788 . . . . 0.0 112.136 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.22 -28.49 70.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.858 -0.526 . . . . 0.0 112.217 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.73 -36.4 70.46 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.517 0.727 . . . . 0.0 111.75 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm . . . . . 0 N--CA 1.457 -0.114 0 C-N-CA 123.239 0.616 . . . . 0.0 110.276 176.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpp . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.28 115.53 28.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.26 1.424 . . . . 0.0 107.812 167.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.22 124.28 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.863 1.265 . . . . 0.0 108.592 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -109.54 168.13 9.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.909 0.884 . . . . 0.0 109.158 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -125.53 109.83 13.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 168.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -113.55 131.26 56.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.829 -0.545 . . . . 0.0 111.239 -167.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -72.95 152.27 41.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.209 0.528 . . . . 0.0 110.547 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.36 137.97 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.454 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.45 -5.23 85.05 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.298 0.951 . . . . 0.0 114.073 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -85.51 170.91 12.18 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.09 1.445 . . . . 0.0 112.186 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -131.03 163.1 28.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.941 0.897 . . . . 0.0 112.295 -170.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mt -150.32 160.12 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.552 2.341 . . . . 0.0 108.207 -168.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -137.78 152.96 49.7 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 0.0 112.343 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -133.28 138.31 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.9 1.28 . . . . 0.0 108.947 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.51 -135.35 51.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.98 10.02 6.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.014 0.926 . . . . 0.0 112.648 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -129.39 -14.18 4.27 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.54 137.95 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 119.082 0.856 . . . . 0.0 110.98 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 41.6 m -120.03 146.75 45.59 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.641 1.176 . . . . 0.0 109.696 172.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.23 142.72 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.412 1.485 . . . . 0.0 108.006 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.53 130.74 28.54 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -87.9 101.15 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 54.6 mt -75.61 -29.66 59.29 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.205 0.602 . . . . 0.0 111.154 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.26 -172.08 39.14 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 122.969 0.319 . . . . 0.0 112.575 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -111.6 164.82 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 C-N-CA 123.162 0.585 . . . . 0.0 111.07 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -151.74 80.16 1.27 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.089 0.955 . . . . 0.0 109.747 169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.09 -121.79 5.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.47 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -87.6 -11.23 49.18 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.427 0.691 . . . . 0.0 110.69 170.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.86 154.83 28.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.053 0.93 . . . . 0.0 111.927 171.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.01 129.65 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.774 1.63 . . . . 0.0 107.329 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -96.36 115.21 27.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.914 0.886 . . . . 0.0 108.654 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -124.8 129.8 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.121 0.568 . . . . 0.0 110.164 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.58 136.83 12.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.075 0.845 . . . . 0.0 111.156 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.48 141.23 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.06 0.944 . . . . 0.0 108.565 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -138.12 89.99 2.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.29 0.636 . . . . 0.0 109.414 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.77 157.07 60.9 Favored Pre-proline 0 N--CA 1.452 -0.373 0 C-N-CA 124.691 1.197 . . . . 0.0 109.88 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.28 150.79 87.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.136 1.891 . . . . 0.0 110.532 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.4 -2.11 7.87 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.08 -23.36 66.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.82 1.248 . . . . 0.0 111.789 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.98 160.03 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.18 0.992 . . . . 0.0 110.961 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.77 156.97 16.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.298 0.639 . . . . 0.0 112.505 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.64 118.63 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.127 0.571 . . . . 0.0 109.957 168.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -148.81 162.25 40.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.505 0.722 . . . . 0.0 111.592 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -62.76 155.51 26.44 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.816 0.446 . . . . 0.0 110.654 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.54 -33.28 74.59 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.975 0.51 . . . . 0.0 111.542 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.77 -27.71 68.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.494 0.717 . . . . 0.0 112.675 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -89.46 -37.36 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.86 1.264 . . . . 0.0 110.726 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -53.39 -40.74 65.28 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.121 0.969 . . . . 0.0 111.041 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -64.08 -25.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.509 0.724 . . . . 0.0 112.918 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -77.06 -38.96 51.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.724 0.809 . . . . 0.0 111.222 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 121.142 0.496 . . . . 0.0 109.849 -176.566 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 mm -126.42 116.2 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.267 1.027 . . . . 0.0 108.345 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.12 151.43 38.3 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.771 1.228 . . . . 0.0 110.089 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.34 109.7 11.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 166.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -121.49 162.14 21.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.396 1.478 . . . . 0.0 109.769 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -117.38 167.13 11.53 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.56 133.87 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.022 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.21 67.7 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.353 0.978 . . . . 0.0 114.759 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -90.39 176.48 6.7 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.314 1.557 . . . . 0.0 112.592 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -137.26 156.76 47.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -136.72 152.69 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.502 1.921 . . . . 0.0 107.906 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -124.99 150.72 46.4 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.565 -0.71 . . . . 0.0 112.721 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.69 138.48 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.853 1.261 . . . . 0.0 108.914 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.43 -140.21 47.26 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.01 9.36 11.83 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.907 0.883 . . . . 0.0 111.77 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -136.59 -7.88 1.93 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -169.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.52 136.55 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 119.166 0.894 . . . . 0.0 110.799 -173.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.6 m -126.38 143.49 51.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.349 1.059 . . . . 0.0 110.303 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -120.39 135.4 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.518 1.527 . . . . 0.0 108.213 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 32.9 m -132.7 133.25 43.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.545 0.738 . . . . 0.0 110.264 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -91.65 99.99 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.65 -32.91 68.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.742 -0.599 . . . . 0.0 110.961 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 -178.99 33.43 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.03 0.347 . . . . 0.0 113.42 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.87 157.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.638 0.775 . . . . 0.0 111.8 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -149.95 90.04 1.65 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.631 1.172 . . . . 0.0 109.305 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -106.35 1.95 Allowed Glycine 0 CA--C 1.524 0.619 0 O-C-N 121.874 -0.517 . . . . 0.0 111.853 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -99.34 -20.81 16.33 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 117.691 0.745 . . . . 0.0 111.896 169.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -72.67 142.56 48.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.8 115.85 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -86.28 126.57 34.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.42 133.01 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.704 0.802 . . . . 0.0 110.165 -168.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.11 140.81 15.06 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.363 0.982 . . . . 0.0 111.507 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -133.14 124.0 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.549 1.139 . . . . 0.0 108.954 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -123.56 99.27 6.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.982 0.513 . . . . 0.0 109.637 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.61 155.4 73.56 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.5 1.12 . . . . 0.0 110.671 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.83 159.47 37.53 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.938 2.425 . . . . 0.0 112.007 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -69.57 -0.84 7.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.4 0.68 . . . . 0.0 112.762 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.0 -22.79 67.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.569 1.148 . . . . 0.0 111.286 169.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.02 155.05 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.34 1.056 . . . . 0.0 110.655 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.08 155.24 19.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.92 126.9 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.927 0.491 . . . . 0.0 110.299 169.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -150.61 169.89 20.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.265 1.026 . . . . 0.0 109.855 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 31.2 ptt-85 -82.08 166.15 19.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.772 -0.58 . . . . 0.0 110.205 169.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.73 -32.61 69.38 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -169.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.47 -44.05 80.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 112.049 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.14 -32.85 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.996 0.919 . . . . 0.0 110.295 -170.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.496 1.119 . . . . 0.0 112.516 177.795 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.12 149.21 21.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.059 -0.401 . . . . 0.0 111.539 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.9 133.36 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -126.8 161.9 27.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.791 1.237 . . . . 0.0 109.821 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.09 97.05 4.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 168.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.38 142.64 38.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.244 1.018 . . . . 0.0 110.444 -178.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -92.16 170.21 10.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -59.54 139.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.314 0.578 . . . . 0.0 112.032 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -4.14 83.04 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.147 0.879 . . . . 0.0 113.855 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -92.22 172.38 8.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.767 1.283 . . . . 0.0 112.645 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 65.8 m -134.8 152.73 51.99 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.887 0.875 . . . . 0.0 112.445 -171.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 29.4 mt -140.24 156.29 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.033 1.733 . . . . 0.0 108.661 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -137.32 147.7 45.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.408 0.683 . . . . 0.0 112.216 -170.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.72 140.83 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.517 1.127 . . . . 0.0 109.213 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.63 -137.54 49.72 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -121.19 9.99 10.57 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.859 0.864 . . . . 0.0 111.89 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -137.43 -14.47 1.49 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -169.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.48 137.19 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 118.982 0.81 . . . . 0.0 110.521 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -132.88 140.73 48.04 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.282 1.033 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -122.51 143.69 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.574 1.55 . . . . 0.0 108.295 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.25 127.97 31.0 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.341 0.656 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.64 112.22 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.99 -26.66 25.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.95 0.9 . . . . 0.0 110.937 -173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.6 -173.8 33.68 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.076 0.37 . . . . 0.0 113.77 169.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.09 158.15 38.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 C-N-CA 123.407 0.683 . . . . 0.0 112.321 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 93.21 1.98 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.514 1.126 . . . . 0.0 109.292 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.58 -102.98 1.45 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.822 -0.549 . . . . 0.0 111.986 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -102.65 -14.93 16.51 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.725 0.762 . . . . 0.0 111.836 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -72.45 145.37 47.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.537 0.684 . . . . 0.0 110.013 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.64 110.4 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -87.35 126.9 35.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -134.11 134.77 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.91 . . . . 0.0 110.521 -168.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.2 140.57 15.07 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.64 135.87 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.094 0.957 . . . . 0.0 109.11 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -137.1 109.97 7.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.571 0.748 . . . . 0.0 109.552 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.29 157.2 75.96 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.717 0.807 . . . . 0.0 111.479 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.1 162.15 36.9 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.195 2.596 . . . . 0.0 112.507 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.64 -12.15 59.8 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.699 0.8 . . . . 0.0 112.88 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.91 -20.78 66.63 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.992 1.317 . . . . 0.0 112.575 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -126.29 166.74 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.777 0.831 . . . . 0.0 111.1 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.61 157.8 15.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.173 0.589 . . . . 0.0 111.827 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.97 113.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.567 0.747 . . . . 0.0 110.305 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.08 167.03 28.95 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.681 0.792 . . . . 0.0 110.922 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -68.37 154.7 41.28 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 109.61 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.36 -23.67 67.51 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.49 -48.11 75.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.492 1.117 . . . . 0.0 110.99 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -81.9 -32.87 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.088 0.955 . . . . 0.0 110.195 -171.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.452 -0.37 0 C-N-CA 124.07 0.948 . . . . 0.0 112.167 176.719 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.122 -0.466 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.92 110.3 22.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.683 0.793 . . . . 0.0 109.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.11 132.11 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.761 0.824 . . . . 0.0 108.844 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -130.76 162.18 30.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.34 1.056 . . . . 0.0 109.791 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.7 m -126.23 129.39 48.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.77 162.43 27.44 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.554 0.742 . . . . 0.0 110.097 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -125.18 157.21 37.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -49.38 119.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 120.72 0.295 . . . . 0.0 110.826 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.24 -5.03 52.15 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.815 1.198 . . . . 0.0 114.603 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -94.71 169.82 9.89 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.951 1.375 . . . . 0.0 112.346 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -139.39 161.11 38.26 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.6 mm -130.6 157.56 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 127.36 2.264 . . . . 0.0 107.918 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -129.95 144.31 51.26 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.607 1.163 . . . . 0.0 110.553 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.97 133.08 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.489 0.715 . . . . 0.0 109.461 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.46 -131.35 38.07 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -123.89 -1.77 8.32 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.04 0.936 . . . . 0.0 112.315 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.32 -15.61 2.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.9 mt -107.8 139.68 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.74 0.7 . . . . 0.0 110.722 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -138.24 140.94 39.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.337 1.055 . . . . 0.0 109.485 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 mm -120.81 144.73 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.726 1.21 . . . . 0.0 108.529 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -138.77 136.16 35.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.464 0.706 . . . . 0.0 110.382 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -86.37 103.35 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.76 -30.43 51.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.104 -0.372 . . . . 0.0 110.484 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.61 -177.63 45.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 169.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 142.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.113 0.965 . . . . 0.0 110.859 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -136.19 68.34 1.44 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.211 1.405 . . . . 0.0 109.759 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.46 -118.14 7.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -80.07 -10.73 59.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.393 0.677 . . . . 0.0 111.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.87 158.87 15.35 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.965 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.19 127.6 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.556 1.542 . . . . 0.0 108.389 -169.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt85 -102.62 103.56 13.87 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.537 0.608 . . . . 0.0 110.73 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -108.59 133.05 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.558 1.543 . . . . 0.0 109.339 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.05 139.62 14.85 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 123.866 0.746 . . . . 0.0 111.647 173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.84 138.36 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.251 1.42 . . . . 0.0 108.45 174.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -126.67 75.01 1.52 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.526 1.13 . . . . 0.0 109.243 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.26 154.07 43.05 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.175 1.39 . . . . 0.0 110.637 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 155.59 57.28 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.489 2.126 . . . . 0.0 110.581 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -67.74 -3.39 9.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -30.96 71.61 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.962 0.905 . . . . 0.0 111.663 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.48 144.03 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 122.079 0.942 . . . . 0.0 111.789 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.05 41.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.547 1.139 . . . . 0.0 111.553 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -129.03 119.66 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -148.79 -176.0 5.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.809 0.844 . . . . 0.0 110.594 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -125.29 167.49 14.82 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 170.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.32 -29.13 69.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.26 -5.39 41.76 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -120.0 -26.88 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.89 1.276 . . . . 0.0 110.929 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.3 t80 . . . . . 0 N--CA 1.453 -0.292 0 O-C-N 121.461 -0.774 . . . . 0.0 110.667 -174.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.87 121.32 43.61 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.87 139.52 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.843 0.457 . . . . 0.0 111.743 -165.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.32 132.49 41.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.274 1.03 . . . . 0.0 110.706 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 57.4 m -89.89 117.92 29.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 168.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -128.61 134.17 48.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 0.0 110.167 -168.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -96.77 160.33 14.43 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 118.689 0.677 . . . . 0.0 111.944 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.0 127.58 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.481 0.658 . . . . 0.0 110.835 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.91 -3.6 65.01 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.126 -0.943 . . . . 0.0 114.595 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.26 164.97 20.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.906 1.353 . . . . 0.0 111.645 171.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -128.18 149.01 50.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.344 1.058 . . . . 0.0 111.781 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 18.0 mt -132.27 153.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 126.068 1.747 . . . . 0.0 109.679 -173.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -137.08 140.65 42.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.712 -0.618 . . . . 0.0 111.856 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -134.52 133.27 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.167 0.987 . . . . 0.0 109.719 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.86 -137.73 50.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.94 0.73 10.33 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.664 0.786 . . . . 0.0 112.107 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.56 -16.47 9.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.804 0.842 . . . . 0.0 113.0 -172.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.48 134.15 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.593 0.711 . . . . 0.0 110.86 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -127.0 148.15 50.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.741 1.216 . . . . 0.0 109.531 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -130.15 145.68 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.879 1.672 . . . . 0.0 107.839 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -137.42 131.91 32.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.988 -0.445 . . . . 0.0 110.262 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.67 91.43 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.83 -30.75 71.01 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.735 -0.603 . . . . 0.0 111.51 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.14 -174.48 37.73 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 113.587 0.195 . . . . 0.0 113.587 170.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.07 150.77 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.357 0.663 . . . . 0.0 110.43 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.0 m -132.34 79.56 1.86 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.378 1.071 . . . . 0.0 108.977 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.07 -116.26 4.4 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -175.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -100.39 8.13 43.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.513 0.725 . . . . 0.0 110.778 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -98.93 154.32 18.15 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.875 1.27 . . . . 0.0 110.136 170.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.2 t -143.54 118.32 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.804 1.242 . . . . 0.0 108.884 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.9 125.05 37.32 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -131.8 131.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.888 0.875 . . . . 0.0 109.979 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.17 139.99 14.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -124.82 130.9 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.87 0.843 . . . . 0.0 109.564 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -133.0 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.536 -168.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.04 157.64 50.12 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.53 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -60.28 155.78 44.21 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 121.738 1.625 . . . . 0.0 109.903 168.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.878 0.871 . . . . 0.0 111.736 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.85 -24.21 66.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.959 1.704 . . . . 0.0 110.955 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.45 144.14 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.531 1.132 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.61 141.4 29.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.518 0.675 . . . . 0.0 111.231 171.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.6 99.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.832 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.7 OUTLIER -145.92 168.11 21.63 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 122.86 0.464 . . . . 0.0 111.212 178.247 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 21.0 ptt-85 -79.26 162.09 25.89 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.805 0.442 . . . . 0.0 112.106 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.1 -43.76 70.68 Favored 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 123.432 0.693 . . . . 0.0 112.244 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.22 -3.85 8.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -107.21 -50.88 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.847 1.259 . . . . 0.0 110.085 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -49.01 -37.77 21.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.814 1.646 . . . . 0.0 112.253 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.8 -24.68 65.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -79.54 -40.52 29.36 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.718 0.69 . . . . 0.0 110.469 171.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.07 -40.24 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -80.15 4.93 15.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.53 38.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.127 0.571 . . . . 0.0 111.955 169.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.8 45.67 0.07 OUTLIER Glycine 0 C--N 1.338 0.649 0 CA-C-O 119.431 -0.649 . . . . 0.0 114.663 169.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -168.97 -176.41 2.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.939 0.87 . . . . 0.0 112.802 -168.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -125.51 -177.75 4.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.341 1.457 . . . . 0.0 109.208 167.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.88 126.09 1.97 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 124.163 0.985 . . . . 0.0 111.826 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -63.71 -176.39 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.575 2.85 . . . . 0.0 113.576 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 124.321 1.049 . . . . 0.0 112.637 174.401 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.08 108.7 17.35 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.14 134.29 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.989 0.916 . . . . 0.0 109.538 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -131.79 135.0 46.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.462 1.105 . . . . 0.0 110.102 170.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.3 p -98.76 139.23 34.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.151 0.58 . . . . 0.0 111.206 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.51 131.46 27.77 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.483 0.713 . . . . 0.0 110.623 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.5 tptm -74.86 156.11 36.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 168.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.51 136.29 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 O-C-N 121.551 -0.718 . . . . 0.0 111.733 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.82 -4.07 84.89 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.557 1.075 . . . . 0.0 114.222 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -86.49 174.83 8.7 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.173 1.487 . . . . 0.0 112.421 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -134.76 158.91 42.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -143.23 153.14 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 128.345 2.658 . . . . 0.0 107.789 -172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -133.19 147.65 52.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.297 -0.877 . . . . 0.0 112.15 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.06 130.61 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.415 1.086 . . . . 0.0 108.939 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -139.12 42.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.23 10.0 9.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.126 0.97 . . . . 0.0 112.005 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.17 -17.69 10.18 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.34 1.056 . . . . 0.0 113.088 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.51 139.74 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 118.842 0.746 . . . . 0.0 111.424 -169.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -128.38 140.7 51.71 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.915 1.286 . . . . 0.0 109.242 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.95 140.41 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.475 1.11 . . . . 0.0 108.441 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -137.74 130.08 29.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.018 -0.426 . . . . 0.0 110.414 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.96 123.94 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -98.55 -38.02 9.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -175.38 45.38 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.209 -0.519 . . . . 0.0 114.103 168.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -122.46 149.39 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.593 0.757 . . . . 0.0 110.589 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -143.0 102.16 3.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.677 1.191 . . . . 0.0 108.645 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.4 -127.62 20.71 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -169.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.51 -0.83 54.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.823 0.849 . . . . 0.0 112.124 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.82 153.44 24.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.847 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.97 123.02 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.95 1.3 . . . . 0.0 108.003 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -86.25 112.33 21.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.55 130.89 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.756 1.223 . . . . 0.0 109.065 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 137.28 13.16 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 124.055 0.836 . . . . 0.0 111.529 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.08 123.19 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.497 1.119 . . . . 0.0 108.609 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.13 93.66 3.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.812 0.445 . . . . 0.0 110.003 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.98 154.36 81.69 Favored Pre-proline 0 N--CA 1.453 -0.301 0 C-N-CA 124.476 1.11 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.61 151.69 74.05 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.506 2.137 . . . . 0.0 110.926 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -65.08 -1.0 1.86 Allowed 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.525 0.73 . . . . 0.0 112.453 172.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.03 -19.81 65.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.831 0.853 . . . . 0.0 111.648 168.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.37 141.33 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.237 1.015 . . . . 0.0 110.303 174.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.74 23.6 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.205 -0.309 . . . . 0.0 111.313 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -137.74 133.57 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.59 . . . . 0.0 110.138 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.44 163.63 38.31 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.826 0.85 . . . . 0.0 111.367 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.74 159.36 19.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 166.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.83 -35.12 68.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -67.38 -26.68 66.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.2 mm -91.77 -37.41 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.454 0.702 . . . . 0.0 110.371 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -51.56 -36.64 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.147 0.979 . . . . 0.0 112.513 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.32 -30.57 66.78 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.396 0.678 . . . . 0.0 111.858 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.785 -0.08 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -113.65 114.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.618 1.567 . . . . 0.0 108.197 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.28 136.7 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.607 1.163 . . . . 0.0 109.461 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.01 142.76 27.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.313 1.445 . . . . 0.0 108.586 -168.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.48 117.37 30.18 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -171.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -124.95 131.89 53.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.735 0.814 . . . . 0.0 111.131 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -76.74 156.23 32.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.676 0.671 . . . . 0.0 110.881 169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 23.8 m -48.81 137.78 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.943 169.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.99 -3.69 86.81 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.383 0.992 . . . . 0.0 114.121 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -95.46 170.86 9.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.991 1.396 . . . . 0.0 112.068 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -127.42 155.26 43.94 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mt -137.59 160.07 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 127.51 2.324 . . . . 0.0 108.212 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -138.16 149.21 45.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.264 -0.897 . . . . 0.0 111.759 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.89 135.96 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.679 1.192 . . . . 0.0 109.083 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.53 -137.72 49.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.24 7.67 9.69 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.013 0.925 . . . . 0.0 111.824 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.72 -11.5 3.45 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -171.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.02 136.17 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.751 0.705 . . . . 0.0 110.719 -172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 59.7 m -122.46 149.71 43.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.404 1.082 . . . . 0.0 109.938 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -132.15 144.11 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.1 1.76 . . . . 0.0 107.576 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -142.34 132.08 24.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.878 -0.514 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -86.96 90.06 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.22 -36.5 77.85 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.752 0.421 . . . . 0.0 110.687 -172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.43 -175.78 45.52 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-O 121.294 0.385 . . . . 0.0 112.983 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.74 134.21 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.806 1.242 . . . . 0.0 109.807 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.2 m -135.68 89.76 2.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.944 0.898 . . . . 0.0 110.021 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.53 -114.15 5.77 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.452 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -101.52 -2.55 30.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.422 0.689 . . . . 0.0 110.822 173.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -76.41 155.27 34.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.528 0.68 . . . . 0.0 111.395 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -129.57 120.85 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 169.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -95.17 102.64 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.529 1.132 . . . . 0.0 108.517 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.19 124.54 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.564 0.745 . . . . 0.0 109.954 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.63 133.05 11.41 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -121.77 139.32 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.814 0.846 . . . . 0.0 108.759 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.07 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.155 0.582 . . . . 0.0 109.76 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.64 156.97 60.75 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.483 1.113 . . . . 0.0 109.815 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -61.67 151.46 80.29 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.082 1.855 . . . . 0.0 110.306 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.18 -0.95 1.92 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.297 0.639 . . . . 0.0 112.423 169.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -65.93 -24.11 66.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.855 1.262 . . . . 0.0 111.062 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.99 159.58 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.673 1.189 . . . . 0.0 110.539 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 157.13 16.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.141 0.577 . . . . 0.0 111.793 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.95 125.35 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.816 -0.552 . . . . 0.0 110.894 169.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -148.09 171.63 15.56 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.87 0.868 . . . . 0.0 111.845 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -71.23 157.27 38.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.18 -29.1 70.23 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.806 -0.559 . . . . 0.0 111.8 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.49 -25.98 61.62 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.86 0.864 . . . . 0.0 112.801 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -88.05 -38.42 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.504 1.122 . . . . 0.0 110.784 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.47 -40.74 68.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.135 0.974 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.89 -22.09 66.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -76.85 -37.06 56.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.724 0.81 . . . . 0.0 111.563 172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -173.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.104 0.478 . . . . 0.0 109.888 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.7 136.62 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.613 1.165 . . . . 0.0 109.919 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.5 165.01 25.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.038 1.735 . . . . 0.0 110.66 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.65 7.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 167.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -115.48 128.52 56.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.997 1.719 . . . . 0.0 109.512 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -93.17 167.58 11.67 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 120.024 1.284 . . . . 0.0 112.589 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -60.82 138.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.588 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.74 84.64 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.132 0.872 . . . . 0.0 113.917 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -95.0 174.79 6.91 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.548 1.174 . . . . 0.0 111.691 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -133.79 157.3 46.25 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -169.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -138.38 159.42 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 126.957 2.103 . . . . 0.0 108.045 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -138.31 150.99 47.16 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.329 -0.857 . . . . 0.0 113.189 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -137.44 138.62 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.746 1.218 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -138.88 48.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.72 10.11 7.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.956 0.902 . . . . 0.0 112.388 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.37 -12.13 5.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.44 135.29 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 119.309 0.959 . . . . 0.0 111.313 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.3 m -124.46 144.24 50.19 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.52 1.128 . . . . 0.0 109.989 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -124.64 139.65 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.164 1.386 . . . . 0.0 108.219 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.32 130.79 39.35 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.968 0.507 . . . . 0.0 110.09 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.26 103.14 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.13 -28.71 57.54 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.085 -0.385 . . . . 0.0 111.144 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -171.46 34.62 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.016 0.341 . . . . 0.0 113.841 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.5 158.85 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.809 0.843 . . . . 0.0 112.309 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.98 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.677 1.191 . . . . 0.0 109.295 168.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.79 -111.9 3.84 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.509 -0.745 . . . . 0.0 111.668 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -92.06 -17.79 24.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.77 0.785 . . . . 0.0 111.488 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.47 143.87 44.46 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.526 0.679 . . . . 0.0 110.049 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.28 112.91 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -85.7 125.79 33.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -133.42 135.1 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.334 0.653 . . . . 0.0 110.31 -169.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.23 143.36 15.65 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.526 1.06 . . . . 0.0 111.691 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -133.18 123.87 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.847 1.259 . . . . 0.0 108.915 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -124.06 99.58 6.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.153 0.581 . . . . 0.0 109.684 -172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.41 155.82 71.89 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.336 1.054 . . . . 0.0 110.455 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.95 159.0 35.7 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.825 2.35 . . . . 0.0 111.949 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -69.09 -0.91 6.46 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.413 0.685 . . . . 0.0 112.575 169.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.01 -23.45 67.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.758 1.223 . . . . 0.0 111.518 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -121.93 156.0 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.329 1.052 . . . . 0.0 110.848 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.11 155.68 17.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.713 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.09 125.09 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.069 0.548 . . . . 0.0 110.044 170.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -150.0 163.45 38.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.861 0.865 . . . . 0.0 110.662 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -69.0 159.56 32.59 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.48 -28.14 69.76 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.054 -0.404 . . . . 0.0 111.403 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.15 -45.08 79.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -83.83 -33.69 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.088 0.955 . . . . 0.0 109.88 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.926 0.891 . . . . 0.0 112.63 179.059 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.11 147.58 22.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.017 -0.427 . . . . 0.0 111.525 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.07 137.46 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.131 0.973 . . . . 0.0 108.643 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt -136.63 164.97 26.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.402 1.081 . . . . 0.0 109.366 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.22 97.96 4.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 169.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -104.9 162.05 13.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.518 1.127 . . . . 0.0 110.361 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.78 168.57 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -55.32 134.16 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.209 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.39 68.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.422 1.011 . . . . 0.0 114.685 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -91.14 175.44 6.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.06 1.43 . . . . 0.0 112.588 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -136.54 155.56 49.78 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.5 0.72 . . . . 0.0 112.775 -172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 36.7 mt -137.28 152.8 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 126.184 1.794 . . . . 0.0 108.764 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -120.66 148.74 43.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.879 0.872 . . . . 0.0 112.382 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.46 141.02 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.632 1.173 . . . . 0.0 108.758 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -135.25 52.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -120.9 3.95 10.51 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.044 0.938 . . . . 0.0 112.047 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.45 -12.56 1.36 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.4 137.24 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.187 0.903 . . . . 0.0 110.5 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -126.89 142.64 51.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.258 1.023 . . . . 0.0 110.35 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -123.22 134.7 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.46 1.504 . . . . 0.0 108.406 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.09 133.75 44.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.469 0.708 . . . . 0.0 110.051 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -95.39 106.21 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.63 -30.78 41.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.01 -0.431 . . . . 0.0 110.771 -171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 -176.04 34.61 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.037 0.351 . . . . 0.0 113.392 169.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.84 153.0 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.688 0.795 . . . . 0.0 111.853 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -141.91 89.9 2.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.084 1.354 . . . . 0.0 108.884 169.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.26 -103.25 1.05 Allowed Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.936 -0.477 . . . . 0.0 112.025 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -98.73 -22.18 16.02 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 117.567 0.683 . . . . 0.0 112.107 171.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -71.6 141.87 50.0 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 109.905 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -131.66 115.67 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -87.58 120.2 28.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.95 138.7 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.242 1.017 . . . . 0.0 109.564 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.57 16.6 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.904 0.764 . . . . 0.0 111.351 172.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.9 mt -131.84 130.51 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.47 1.108 . . . . 0.0 109.508 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -125.15 107.02 10.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.68 157.8 77.06 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 123.989 0.915 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.09 161.95 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.046 2.498 . . . . 0.0 112.283 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.9 -4.32 12.53 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.58 -24.18 66.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.237 1.415 . . . . 0.0 112.137 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -127.13 164.15 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.257 1.023 . . . . 0.0 110.974 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.33 13.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.087 0.555 . . . . 0.0 111.437 169.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.0 122.53 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.494 0.718 . . . . 0.0 109.831 171.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -153.06 175.28 13.16 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.721 0.808 . . . . 0.0 110.793 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -74.63 161.15 29.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -62.24 -30.45 71.12 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.144 -0.347 . . . . 0.0 111.771 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.02 -40.53 73.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.28 1.032 . . . . 0.0 111.79 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.92 -35.55 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.233 1.013 . . . . 0.0 110.447 -171.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.696 1.598 . . . . 0.0 112.348 175.411 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 118.983 -0.532 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 113.08 24.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.87 0.868 . . . . 0.0 109.646 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.77 136.31 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.926 0.891 . . . . 0.0 109.537 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.98 159.4 40.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.44 1.096 . . . . 0.0 110.066 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 m -128.02 100.93 6.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.776 0.83 . . . . 0.0 108.9 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -123.6 159.05 30.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.029 0.532 . . . . 0.0 111.11 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -110.0 161.71 15.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.991 0.917 . . . . 0.0 110.764 -168.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.96 123.77 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.859 0.464 . . . . 0.0 110.646 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.51 -2.73 65.23 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.469 1.033 . . . . 0.0 114.089 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -95.89 166.78 11.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.73 1.265 . . . . 0.0 112.139 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -132.9 152.78 51.82 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -168.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 3.5 mm -116.08 157.59 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 126.207 1.803 . . . . 0.0 109.808 169.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.41 136.86 48.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.186 0.995 . . . . 0.0 110.823 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.5 136.17 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.606 1.163 . . . . 0.0 110.05 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.49 -129.81 28.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -125.79 -1.78 7.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.895 0.878 . . . . 0.0 112.338 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -135.91 -18.78 1.58 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -100.96 136.68 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.865 0.757 . . . . 0.0 110.301 -172.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -135.6 144.22 46.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.615 0.766 . . . . 0.0 109.331 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -126.0 142.34 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 108.514 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -136.65 130.57 32.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.012 0.525 . . . . 0.0 110.077 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.33 101.95 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 169.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.22 -30.83 60.7 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.172 -0.33 . . . . 0.0 110.206 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -177.5 42.52 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 113.874 0.309 . . . . 0.0 113.874 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.82 152.98 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.312 1.045 . . . . 0.0 111.084 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -136.71 60.91 1.65 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.452 1.101 . . . . 0.0 109.677 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.59 -120.17 5.3 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.08 -12.63 56.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.513 0.725 . . . . 0.0 111.95 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -99.06 152.99 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.869 0.842 . . . . 0.0 112.0 170.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.19 138.2 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.63 1.972 . . . . 0.0 108.421 -169.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -119.59 104.29 10.16 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.44 136.94 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.824 1.649 . . . . 0.0 109.537 -170.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 139.26 14.69 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.762 0.696 . . . . 0.0 111.614 170.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.72 136.43 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.102 1.361 . . . . 0.0 108.353 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -123.81 74.99 1.31 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.529 1.132 . . . . 0.0 109.267 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.9 153.72 44.39 Favored Pre-proline 0 N--CA 1.453 -0.276 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.702 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.58 153.31 60.1 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.491 2.127 . . . . 0.0 110.569 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -66.49 -7.24 18.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.07 -26.56 66.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.991 0.917 . . . . 0.0 112.25 170.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.36 144.07 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.066 0.936 . . . . 0.0 112.145 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.53 143.04 40.64 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.089 1.355 . . . . 0.0 111.79 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.7 t -129.2 120.97 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.69 172.47 14.01 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.661 0.784 . . . . 0.0 111.468 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.17 159.57 14.86 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.646 0.778 . . . . 0.0 109.852 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.7 -25.79 66.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.068 0.849 . . . . 0.0 112.189 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -75.66 -7.39 54.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.64 -28.65 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 C-N-CA 124.423 1.089 . . . . 0.0 111.273 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.6 t80 . . . . . 0 N--CA 1.451 -0.404 0 O-C-N 121.423 -0.798 . . . . 0.0 110.506 -175.303 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -111.35 119.76 39.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.308 1.443 . . . . 0.0 107.19 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.56 137.06 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -165.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.6 144.16 37.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.686 1.194 . . . . 0.0 110.863 -170.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.5 m -111.76 125.73 54.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.401 0.68 . . . . 0.0 109.588 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -133.24 139.54 47.01 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.484 1.113 . . . . 0.0 111.021 -174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -81.71 155.4 25.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.904 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.58 130.25 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.11 -5.92 63.57 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.786 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -92.25 162.58 14.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.174 1.487 . . . . 0.0 111.984 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -128.69 156.54 43.32 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mm -141.13 150.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.266 2.226 . . . . 0.0 108.482 -170.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.16 142.61 49.53 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 121.203 -0.936 . . . . 0.0 111.509 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.33 130.16 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.032 0.933 . . . . 0.0 109.659 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.41 50.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -125.04 5.04 7.93 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.869 0.868 . . . . 0.0 112.769 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -115.63 -20.62 10.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.91 136.79 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.003 0.82 . . . . 0.0 111.395 -169.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -130.43 147.65 52.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.008 1.323 . . . . 0.0 109.609 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -130.33 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.679 1.592 . . . . 0.0 108.172 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -135.8 130.98 34.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.782 0.433 . . . . 0.0 110.295 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.73 109.27 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 169.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -80.49 -30.5 37.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.772 -0.58 . . . . 0.0 111.143 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 179.97 36.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 113.424 0.129 . . . . 0.0 113.424 170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.9 151.69 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.359 0.664 . . . . 0.0 110.848 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -132.95 79.47 1.84 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.801 1.24 . . . . 0.0 108.565 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.61 -114.97 4.61 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.97 7.38 39.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.743 0.817 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.89 146.63 25.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.596 1.158 . . . . 0.0 109.357 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.01 119.7 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 109.593 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 120.76 30.74 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.882 1.273 . . . . 0.0 109.469 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.24 133.69 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.11 0.964 . . . . 0.0 109.921 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.28 139.56 14.53 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mt -122.55 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 123.957 0.903 . . . . 0.0 108.815 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -131.84 80.73 1.93 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.532 -167.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.84 157.15 72.52 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.467 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -57.36 153.48 40.43 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.708 1.605 . . . . 0.0 110.399 169.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -68.39 -0.62 5.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.103 0.561 . . . . 0.0 111.88 170.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -29.53 69.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.403 1.481 . . . . 0.0 111.58 172.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -105.21 144.11 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.251 1.02 . . . . 0.0 110.401 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -87.02 141.83 28.38 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.722 0.772 . . . . 0.0 111.33 169.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.76 95.75 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 -166.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.42 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -142.49 157.52 44.66 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.755 -0.59 . . . . 0.0 111.29 176.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.8 ptt-85 -67.41 155.76 38.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.537 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -54.39 -41.1 68.86 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.36 0.664 . . . . 0.0 112.479 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.73 -23.17 67.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -87.32 -50.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.215 1.006 . . . . 0.0 110.414 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -51.32 -35.9 40.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.663 1.185 . . . . 0.0 112.043 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.37 -21.06 62.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -81.69 -37.18 27.8 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.373 0.988 . . . . 0.0 110.62 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -41.67 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -79.35 5.09 13.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -20.74 41.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.009 0.523 . . . . 0.0 111.896 169.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.97 46.16 0.06 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-O 119.347 -0.696 . . . . 0.0 114.679 168.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.0 -176.18 2.56 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.022 0.911 . . . . 0.0 112.894 -168.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 9.3 m -122.71 170.56 9.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.309 1.444 . . . . 0.0 108.537 168.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.96 118.77 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.078 1.351 . . . . 0.0 111.891 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -66.19 176.46 3.9 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.595 2.197 . . . . 0.0 113.311 -170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.108 0.963 . . . . 0.0 112.544 177.608 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.37 108.7 19.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 166.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.57 135.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.837 0.855 . . . . 0.0 109.842 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -128.78 134.97 48.56 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.761 0.824 . . . . 0.0 109.487 168.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -92.66 144.76 25.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 110.094 169.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.428 ' HE ' ' C ' ' C' ' 10' ' ' GLU . 1.5 mtp-105 -146.08 164.0 33.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 171.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.506 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.7 tptm -100.36 155.54 17.74 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.934 0.894 . . . . 0.0 109.369 170.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.74 134.18 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 118.189 0.45 . . . . 0.0 111.596 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.85 -7.07 64.88 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.946 1.26 . . . . 0.0 114.743 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.428 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 18.5 mm-40 -91.12 175.31 6.99 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.342 1.571 . . . . 0.0 112.976 -173.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -128.52 153.04 47.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.6 156.83 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.547 2.339 . . . . 0.0 108.392 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -125.3 148.84 48.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.887 0.875 . . . . 0.0 111.91 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.22 131.8 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.543 1.137 . . . . 0.0 108.721 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.09 -138.22 43.11 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -170.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -122.19 9.91 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.184 0.993 . . . . 0.0 111.947 169.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -118.48 -17.71 9.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.366 1.066 . . . . 0.0 113.223 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.42 140.87 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.774 0.715 . . . . 0.0 111.099 -169.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -129.11 140.8 51.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.758 1.223 . . . . 0.0 109.395 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -119.27 135.61 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.829 1.252 . . . . 0.0 108.737 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -128.89 133.56 47.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.335 0.654 . . . . 0.0 109.79 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 tp -94.7 126.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.54 -38.98 7.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -171.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.46 -173.53 44.9 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.846 168.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.28 155.06 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -144.44 102.94 3.9 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.552 1.141 . . . . 0.0 108.965 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.91 -119.49 15.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -171.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.43 -0.56 43.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.087 0.955 . . . . 0.0 111.843 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -88.56 155.23 19.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.647 0.737 . . . . 0.0 111.66 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.57 122.64 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.086 1.354 . . . . 0.0 108.266 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -84.26 113.72 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 mt -118.05 132.26 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.358 1.463 . . . . 0.0 109.511 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.55 140.23 15.01 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.315 0.959 . . . . 0.0 111.949 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.14 127.93 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.582 1.153 . . . . 0.0 108.384 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -128.33 95.13 4.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.082 -0.386 . . . . 0.0 110.247 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.92 157.23 78.25 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 124.654 1.181 . . . . 0.0 110.254 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.21 151.22 83.43 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.522 2.148 . . . . 0.0 111.01 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.28 -0.99 2.91 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.265 0.626 . . . . 0.0 112.645 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.88 -22.24 66.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.321 1.048 . . . . 0.0 111.508 169.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.62 147.14 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.113 0.965 . . . . 0.0 110.406 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.58 156.76 20.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.594 0.358 . . . . 0.0 111.393 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -137.78 131.61 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.182 0.593 . . . . 0.0 109.817 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -155.1 164.24 39.14 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.365 0.666 . . . . 0.0 111.788 -174.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -75.56 157.29 34.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 166.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.78 -35.81 77.37 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.591 0.632 . . . . 0.0 111.69 -175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.68 -17.58 61.63 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.56 -36.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.672 0.789 . . . . 0.0 110.616 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -52.63 -34.83 53.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.087 1.355 . . . . 0.0 112.5 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -59.49 -29.46 67.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.768 0.827 . . . . 0.0 112.428 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.09 -36.56 77.72 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.637 0.775 . . . . 0.0 111.816 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.454 -0.238 0 O-C-N 121.927 -0.483 . . . . 0.0 109.808 178.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -116.21 115.23 25.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.202 1.801 . . . . 0.0 106.867 166.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.43 134.99 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 109.429 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 55.1 mt -123.66 171.15 9.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.153 1.381 . . . . 0.0 110.12 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.64 109.88 8.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.04 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.35 148.92 45.54 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.784 0.834 . . . . 0.0 110.822 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -76.96 160.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.207 0.527 . . . . 0.0 111.561 173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.88 138.69 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.41 0.684 . . . . 0.0 111.345 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.34 -4.97 85.84 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.16 0.886 . . . . 0.0 113.917 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.99 167.6 13.56 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.952 1.376 . . . . 0.0 112.463 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.03 154.45 44.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.831 0.852 . . . . 0.0 112.4 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -144.27 160.57 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 127.466 2.307 . . . . 0.0 107.973 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -139.88 152.27 46.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.223 -0.923 . . . . 0.0 112.71 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.07 138.75 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.039 1.335 . . . . 0.0 109.001 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.02 -136.05 50.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.92 10.03 8.21 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.316 1.046 . . . . 0.0 111.573 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -134.41 -11.88 2.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -170.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.43 137.06 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.788 0.722 . . . . 0.0 110.559 -172.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 46.5 m -120.25 145.48 46.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.396 1.078 . . . . 0.0 109.924 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -127.07 139.12 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.532 1.533 . . . . 0.0 107.843 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 9.4 m -136.01 128.13 29.8 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.63 105.25 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.28 -30.29 48.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.126 0.57 . . . . 0.0 110.59 -173.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.56 -172.11 39.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 169.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -111.75 161.02 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.492 0.717 . . . . 0.0 110.745 169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -144.63 77.06 1.52 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.594 0.758 . . . . 0.0 109.711 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.47 -114.44 3.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -174.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.506 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.8 mp0 -95.64 -1.29 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.401 0.68 . . . . 0.0 110.179 171.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.38 154.63 34.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.461 0.648 . . . . 0.0 112.363 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.19 120.99 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.716 1.606 . . . . 0.0 107.205 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -95.68 114.64 26.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.454 1.102 . . . . 0.0 108.58 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.03 129.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.217 0.607 . . . . 0.0 110.409 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.22 136.77 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.74 140.74 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 171.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -137.98 90.88 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.233 0.613 . . . . 0.0 109.543 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.91 156.73 65.17 Favored Pre-proline 0 N--CA 1.452 -0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.139 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.72 152.01 83.56 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.392 2.061 . . . . 0.0 110.535 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -69.95 -1.03 8.47 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.85 -22.23 65.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.616 1.166 . . . . 0.0 111.308 168.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -126.19 160.08 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.401 1.08 . . . . 0.0 110.657 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.68 157.02 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.053 0.541 . . . . 0.0 112.075 -175.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.8 124.08 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 122.844 0.458 . . . . 0.0 110.501 169.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.71 161.25 42.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.354 0.662 . . . . 0.0 112.291 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -64.86 156.0 32.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.698 0.399 . . . . 0.0 109.999 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.02 -33.14 70.4 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.031 0.532 . . . . 0.0 111.957 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.12 -47.62 85.13 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.055 0.942 . . . . 0.0 111.641 172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -74.26 -39.5 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 124.29 1.036 . . . . 0.0 110.305 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -51.53 -38.46 54.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.4 -24.25 62.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.92 -36.36 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.283 0.947 . . . . 0.0 110.176 170.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -171.368 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.747 0.308 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.88 140.22 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.825 1.25 . . . . 0.0 109.59 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -137.86 160.33 39.57 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.159 1.383 . . . . 0.0 111.221 -171.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.79 100.7 4.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 166.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -117.77 143.16 46.5 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 124.61 1.164 . . . . 0.0 112.167 -168.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -85.45 159.17 20.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.745 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -59.21 135.54 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 111.257 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -7.89 77.64 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.204 0.907 . . . . 0.0 114.44 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.33 164.65 16.14 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.075 1.438 . . . . 0.0 111.913 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -136.26 152.73 51.03 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 mm -137.94 150.96 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 126.972 2.109 . . . . 0.0 108.156 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -132.05 144.37 50.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.335 -0.853 . . . . 0.0 112.009 -169.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -134.4 139.7 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.59 1.156 . . . . 0.0 109.207 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.04 -134.42 52.4 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.43 9.66 7.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.648 0.779 . . . . 0.0 111.54 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -136.49 -8.52 1.94 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.45 134.86 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.947 0.794 . . . . 0.0 110.506 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -128.54 142.42 51.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.008 0.923 . . . . 0.0 110.459 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -120.37 140.48 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.722 1.609 . . . . 0.0 108.092 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -137.59 126.15 23.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.12 0.568 . . . . 0.0 109.997 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -75.45 111.13 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 169.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.51 -35.08 53.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.158 -0.339 . . . . 0.0 110.147 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 178.5 31.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.077 0.37 . . . . 0.0 113.388 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.46 156.94 6.95 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 123.539 0.735 . . . . 0.0 111.909 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.6 89.93 1.74 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.5 1.12 . . . . 0.0 109.521 169.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 -109.45 2.88 Favored Glycine 0 CA--C 1.525 0.679 0 O-C-N 121.698 -0.627 . . . . 0.0 111.765 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -95.0 -22.29 18.04 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.61 0.705 . . . . 0.0 111.776 171.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -73.28 146.11 45.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.344 0.592 . . . . 0.0 110.199 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.82 116.01 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -89.65 123.69 33.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.49 126.9 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.97 0.908 . . . . 0.0 110.191 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.04 142.1 16.68 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.077 0.846 . . . . 0.0 111.55 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -134.49 123.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.019 1.327 . . . . 0.0 108.779 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -125.14 99.93 6.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.065 0.546 . . . . 0.0 109.556 -170.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.32 155.55 73.97 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 124.476 1.11 . . . . 0.0 110.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.86 158.62 46.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.161 2.574 . . . . 0.0 112.148 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -72.48 -0.88 13.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 172.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.82 -21.62 66.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.289 1.036 . . . . 0.0 111.514 169.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -124.19 159.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.168 0.987 . . . . 0.0 110.705 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.53 155.99 16.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.08 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.83 125.26 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.984 0.514 . . . . 0.0 110.273 169.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -151.42 169.41 22.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.58 1.152 . . . . 0.0 109.589 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 29.6 ptt-85 -78.5 166.46 22.57 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.622 -0.674 . . . . 0.0 110.523 169.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.41 -26.06 68.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.14 -48.97 79.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.046 0.938 . . . . 0.0 111.888 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -79.79 -32.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.716 0.806 . . . . 0.0 109.878 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.404 1.082 . . . . 0.0 112.824 179.659 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.5 150.91 20.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.881 -0.512 . . . . 0.0 111.55 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.36 124.84 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.44 152.04 29.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.458 1.503 . . . . 0.0 109.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 106.78 12.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 54.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.092 1.357 . . . . 0.0 110.002 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.11 165.13 13.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.33 0.968 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.54 136.1 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.294 -169.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.89 76.7 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.297 0.951 . . . . 0.0 114.109 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.69 172.16 7.88 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.628 1.214 . . . . 0.0 111.693 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -134.57 157.31 46.89 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 54.1 mt -136.41 154.74 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 126.256 1.822 . . . . 0.0 108.735 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.21 148.02 51.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.802 0.841 . . . . 0.0 111.828 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -135.14 140.21 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.386 1.074 . . . . 0.0 109.193 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.38 -138.01 49.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.82 9.88 11.46 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.927 0.891 . . . . 0.0 111.706 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.82 -14.86 1.05 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.6 138.96 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.328 0.967 . . . . 0.0 110.706 -172.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -128.63 141.01 51.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.031 0.933 . . . . 0.0 110.53 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -120.34 140.53 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.669 1.588 . . . . 0.0 108.203 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -133.8 128.45 34.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.039 0.536 . . . . 0.0 109.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.13 106.2 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 169.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.29 -28.62 42.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.426 0.69 . . . . 0.0 110.897 -173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.84 -172.16 35.6 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.318 0.485 . . . . 0.0 112.871 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.01 149.3 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.365 0.666 . . . . 0.0 111.194 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -139.24 89.91 2.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.774 1.23 . . . . 0.0 108.534 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.85 -124.49 34.33 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -172.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -79.14 -18.36 53.3 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.08 143.88 33.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.375 0.607 . . . . 0.0 110.36 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 76.0 t -131.73 121.01 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm105 -91.61 124.7 35.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.957 0.903 . . . . 0.0 109.026 -172.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.68 146.41 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.697 0.799 . . . . 0.0 110.527 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.81 143.69 15.93 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.953 0.787 . . . . 0.0 111.455 172.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.62 129.63 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 109.651 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -124.53 109.39 13.17 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 157.2 74.73 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 123.739 0.816 . . . . 0.0 111.328 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.52 161.87 36.47 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.064 2.509 . . . . 0.0 112.369 172.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.32 -4.31 10.45 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.416 0.686 . . . . 0.0 112.749 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -24.4 66.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.338 1.455 . . . . 0.0 112.333 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -124.0 164.3 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.928 0.891 . . . . 0.0 111.268 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.19 15.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.305 0.642 . . . . 0.0 111.226 169.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.06 125.5 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.051 0.54 . . . . 0.0 110.406 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -154.1 171.6 18.85 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 110.944 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -82.16 161.92 22.62 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.102 -0.374 . . . . 0.0 109.999 167.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -18.69 65.51 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -170.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.97 -41.6 87.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.54 0.736 . . . . 0.0 111.231 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -88.72 -36.11 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.778 0.831 . . . . 0.0 109.924 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 123.589 0.756 . . . . 0.0 112.629 -179.752 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 108.63 21.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.579 0.751 . . . . 0.0 109.493 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.76 135.23 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.629 0.772 . . . . 0.0 109.204 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -133.36 159.17 41.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.59 1.156 . . . . 0.0 109.652 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.5 m -122.74 100.96 7.18 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -95.94 166.65 11.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.922 0.489 . . . . 0.0 110.365 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -129.1 157.0 42.99 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.66 121.25 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.939 0.495 . . . . 0.0 110.945 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.91 -4.84 57.76 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.755 1.169 . . . . 0.0 114.647 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -92.75 165.57 12.88 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.909 1.354 . . . . 0.0 112.034 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -137.31 149.39 47.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -169.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 24.8 mm -113.2 153.79 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 125.848 1.659 . . . . 0.0 109.548 169.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -125.69 138.11 53.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.559 1.144 . . . . 0.0 109.831 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -132.9 131.57 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.134 0.973 . . . . 0.0 109.532 -171.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.05 -127.03 27.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.0 0.76 5.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.704 0.802 . . . . 0.0 112.353 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -135.05 -21.27 1.65 Allowed 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 mt -102.28 138.89 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.407 0.683 . . . . 0.0 110.36 -170.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -135.25 145.28 47.44 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.774 0.829 . . . . 0.0 109.663 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.87 141.09 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.822 1.249 . . . . 0.0 108.334 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -139.53 135.96 34.0 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.498 0.59 . . . . 0.0 110.316 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -85.22 99.82 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -25.15 58.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.723 -0.611 . . . . 0.0 110.719 -175.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.22 42.36 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 118.148 0.431 . . . . 0.0 113.853 169.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -130.58 155.23 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.044 0.938 . . . . 0.0 111.685 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -141.6 65.71 1.37 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.893 1.277 . . . . 0.0 109.996 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.22 -119.98 5.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -80.82 -4.41 54.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.194 0.598 . . . . 0.0 111.786 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -99.22 159.93 14.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.88 0.848 . . . . 0.0 112.745 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.78 128.36 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.0 1.72 . . . . 0.0 108.441 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -104.67 101.96 11.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.068 0.947 . . . . 0.0 110.397 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -108.2 130.48 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.184 1.394 . . . . 0.0 109.386 -174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.39 141.27 15.24 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.709 0.671 . . . . 0.0 111.599 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 mt -120.99 131.23 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.317 1.447 . . . . 0.0 108.025 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.23 74.99 1.27 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.23 1.014 . . . . 0.0 109.261 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.79 153.45 39.29 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.837 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.67 154.22 59.54 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.505 2.136 . . . . 0.0 110.509 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -68.11 -5.97 20.55 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -67.36 -25.6 66.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.984 0.914 . . . . 0.0 112.146 169.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -117.24 144.04 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.013 0.911 . . . . 0.0 111.909 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.84 143.07 44.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.392 1.077 . . . . 0.0 111.46 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.15 120.16 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.033 0.533 . . . . 0.0 109.699 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -148.66 -175.92 5.12 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.847 0.859 . . . . 0.0 110.699 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -124.89 170.1 11.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 170.349 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -59.7 -39.49 84.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -71.36 -6.53 40.8 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.91 -28.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 110.869 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.45 -0.428 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -175.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.18 121.98 41.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 107.133 169.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.68 139.83 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.903 0.481 . . . . 0.0 111.675 -165.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.07 140.33 46.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.578 1.151 . . . . 0.0 110.587 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -116.82 102.94 9.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -128.23 159.19 36.0 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.216 1.006 . . . . 0.0 110.828 -169.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -91.88 165.93 12.99 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.82 135.96 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.238 0.542 . . . . 0.0 110.819 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.06 78.73 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.138 -0.812 . . . . 0.0 114.42 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.77 158.16 25.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 119.104 1.452 . . . . 0.0 112.232 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -125.7 144.75 50.47 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.422 1.089 . . . . 0.0 111.37 -173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 14.1 mt -136.7 153.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.51 1.524 . . . . 0.0 109.57 -169.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -137.31 140.56 41.61 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.696 -0.628 . . . . 0.0 112.378 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.72 132.43 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 124.169 0.988 . . . . 0.0 109.802 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.74 -139.41 48.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -119.05 0.83 11.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.35 -20.32 9.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.542 0.737 . . . . 0.0 112.962 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.1 135.08 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-O 121.685 0.755 . . . . 0.0 110.952 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -130.66 149.19 52.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.76 1.224 . . . . 0.0 109.652 170.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -128.86 141.91 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.98 1.712 . . . . 0.0 108.014 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.41 127.93 32.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.76 0.424 . . . . 0.0 109.994 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -81.92 105.95 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.4 -30.9 57.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.943 -0.473 . . . . 0.0 110.946 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.87 -179.24 35.56 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 113.287 0.075 . . . . 0.0 113.287 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.03 149.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.065 0.546 . . . . 0.0 110.676 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.4 t -132.0 74.76 1.6 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.48 1.112 . . . . 0.0 108.444 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -117.81 4.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -173.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.13 8.9 44.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.909 0.484 . . . . 0.0 110.741 175.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.93 156.7 16.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.149 0.979 . . . . 0.0 110.33 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.01 113.23 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.703 1.201 . . . . 0.0 108.944 -168.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 120.86 29.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.545 1.138 . . . . 0.0 109.649 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.35 131.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.29 1.036 . . . . 0.0 109.967 -169.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.94 138.79 14.23 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.97 132.3 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.912 0.863 . . . . 0.0 109.314 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -131.33 79.68 1.9 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.388 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.13 156.27 72.33 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.744 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -57.84 155.35 33.2 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 121.697 1.598 . . . . 0.0 110.75 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -71.7 -0.69 11.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.971 -0.456 . . . . 0.0 112.057 171.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -25.82 67.31 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.158 1.383 . . . . 0.0 112.128 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.6 144.17 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.98 0.912 . . . . 0.0 110.528 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.62 142.49 28.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.511 0.672 . . . . 0.0 111.737 169.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.51 98.2 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.701 -166.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.452 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.5 OUTLIER -147.48 158.33 43.94 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.865 -0.522 . . . . 0.0 111.968 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.3 ptt-85 -63.14 156.51 24.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.855 0.462 . . . . 0.0 111.27 169.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -39.33 73.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -173.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.93 -6.21 26.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.13 -50.93 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.941 0.896 . . . . 0.0 110.027 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -50.74 -36.89 38.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.647 1.179 . . . . 0.0 112.066 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.26 -21.59 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -78.99 -42.12 27.41 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.041 0.837 . . . . 0.0 110.3 169.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -38.89 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -81.49 5.07 18.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -20.02 39.99 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 111.734 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 47.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.596 0 C-N-CA 123.467 0.556 . . . . 0.0 114.209 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.01 -176.4 2.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.614 0.707 . . . . 0.0 112.504 -168.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.5 p -128.13 -177.88 4.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.029 1.332 . . . . 0.0 109.397 167.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 125.27 1.73 Allowed Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 124.217 1.007 . . . . 0.0 111.69 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.14 153.6 12.31 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.979 3.119 . . . . 0.0 113.15 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 169.727 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.3 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 105.9 15.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.426 1.09 . . . . 0.0 108.43 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.75 132.75 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.549 0.74 . . . . 0.0 109.22 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.92 134.95 51.4 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.494 0.718 . . . . 0.0 109.329 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -89.91 140.78 29.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.919 0.488 . . . . 0.0 110.025 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -146.11 124.01 12.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.555 -0.26 . . . . 0.0 110.558 -175.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.464 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.5 tptm -75.51 152.09 37.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.93 136.67 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 O-C-N 121.813 -0.555 . . . . 0.0 111.991 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.69 -4.26 83.58 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.764 1.173 . . . . 0.0 114.25 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -91.11 171.55 9.18 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.229 1.514 . . . . 0.0 111.975 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -128.91 158.12 39.69 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -167.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -139.8 160.04 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 127.907 2.483 . . . . 0.0 108.569 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.55 149.12 52.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.206 1.002 . . . . 0.0 112.475 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.64 143.43 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.811 1.244 . . . . 0.0 109.034 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 -142.34 42.86 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 123.955 0.788 . . . . 0.0 111.847 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -115.95 7.58 14.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.081 0.952 . . . . 0.0 111.285 169.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -131.76 -11.47 3.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -168.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.28 138.99 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.953 0.797 . . . . 0.0 111.231 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.8 m -124.46 138.06 54.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 109.333 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mm -118.16 137.02 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.566 1.146 . . . . 0.0 108.348 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -132.82 127.95 35.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.11 -0.369 . . . . 0.0 110.307 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -82.31 120.21 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -95.2 -38.89 10.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.11 178.76 44.27 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.272 -0.489 . . . . 0.0 113.972 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -114.6 152.32 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 C-N-CA 123.376 0.67 . . . . 0.0 109.92 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -151.51 101.37 2.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.69 -140.78 26.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.77 2.5 37.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.043 0.537 . . . . 0.0 111.509 168.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.43 146.85 25.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.075 0.95 . . . . 0.0 110.392 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 t -131.25 124.72 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm-85 -88.39 114.26 24.84 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.8 132.62 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.675 1.19 . . . . 0.0 109.326 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.29 134.52 11.89 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.986 0.803 . . . . 0.0 111.539 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.27 117.91 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.981 0.913 . . . . 0.0 108.959 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -119.03 92.77 3.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.998 0.519 . . . . 0.0 110.388 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.74 76.57 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 110.247 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.38 152.03 79.26 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.59 2.193 . . . . 0.0 111.125 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.95 -0.94 2.6 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 112.672 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.89 -22.27 66.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.218 1.007 . . . . 0.0 111.283 169.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.74 146.22 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.25 1.02 . . . . 0.0 110.417 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.93 156.57 23.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.441 0.296 . . . . 0.0 111.073 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.15 132.74 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.958 0.503 . . . . 0.0 109.834 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -154.8 167.56 29.84 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.724 0.81 . . . . 0.0 110.914 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 28.6 ptt-85 -88.66 157.48 18.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 166.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -57.8 -35.82 71.34 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -168.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.82 -19.1 63.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.098 0.959 . . . . 0.0 113.561 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.1 mm -96.12 -36.55 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.71 0.804 . . . . 0.0 110.72 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -52.32 -35.91 51.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.489 1.116 . . . . 0.0 112.707 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.76 -27.71 66.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.65 0.78 . . . . 0.0 112.57 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -68.7 -37.03 79.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 111.805 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.267 0 O-C-N 122.008 -0.433 . . . . 0.0 109.916 178.387 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.999 0.428 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.65 108.79 14.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.269 1.828 . . . . 0.0 107.347 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -91.92 138.85 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.414 1.086 . . . . 0.0 109.554 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.94 134.99 22.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.093 1.357 . . . . 0.0 109.249 -167.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 134.55 34.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.174 -0.329 . . . . 0.0 110.973 169.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -136.35 133.66 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.377 0.671 . . . . 0.0 110.378 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -79.98 157.06 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.053 0.541 . . . . 0.0 110.763 171.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -61.18 140.08 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 121.282 0.563 . . . . 0.0 111.811 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.83 -4.32 85.28 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.448 1.023 . . . . 0.0 113.96 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -91.54 174.53 7.32 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.03 1.415 . . . . 0.0 112.201 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -129.69 158.49 39.22 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -168.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 25.9 mt -140.3 159.25 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 127.805 2.442 . . . . 0.0 108.886 -175.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -138.51 148.42 44.26 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 112.112 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -134.24 136.36 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.788 1.235 . . . . 0.0 109.07 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -137.17 50.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -124.04 8.35 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.945 0.898 . . . . 0.0 111.744 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -130.1 -11.78 4.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.87 136.23 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.825 0.738 . . . . 0.0 110.656 -172.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -121.38 145.17 48.17 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.269 1.027 . . . . 0.0 109.747 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -125.46 144.52 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.677 1.591 . . . . 0.0 107.779 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -137.71 133.38 34.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.921 -0.487 . . . . 0.0 109.952 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -88.99 93.7 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.6 -28.32 64.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.036 -0.415 . . . . 0.0 110.903 -172.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.2 -176.22 38.61 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.726 -0.273 . . . . 0.0 113.313 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.97 158.31 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.011 0.525 . . . . 0.0 110.839 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.06 77.55 1.53 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.735 0.814 . . . . 0.0 109.449 171.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.44 -115.22 3.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.464 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -96.96 -5.21 38.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.52 0.728 . . . . 0.0 110.44 171.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.24 159.66 29.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.648 0.737 . . . . 0.0 111.874 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.02 124.41 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.161 1.384 . . . . 0.0 108.299 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -82.79 118.79 23.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -120.46 115.18 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.036 0.934 . . . . 0.0 109.178 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.17 141.32 19.85 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.517 1.056 . . . . 0.0 110.603 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.2 mt -134.6 135.24 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.07 89.88 2.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.0 61.81 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.513 1.125 . . . . 0.0 109.455 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.61 149.7 88.68 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.947 1.765 . . . . 0.0 110.486 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -68.51 -1.01 5.73 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.737 -0.602 . . . . 0.0 112.539 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.26 -23.24 66.37 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.895 1.278 . . . . 0.0 111.574 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.37 160.04 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.115 0.966 . . . . 0.0 110.777 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.73 157.1 16.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.271 0.629 . . . . 0.0 112.361 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.78 125.3 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 167.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -147.73 165.19 31.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.343 0.657 . . . . 0.0 111.356 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -63.44 154.52 31.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.341 0.656 . . . . 0.0 109.433 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.98 -36.21 78.85 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 119.025 0.83 . . . . 0.0 111.02 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.9 -25.4 68.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.716 0.806 . . . . 0.0 112.746 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mm -95.5 -39.33 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.555 1.142 . . . . 0.0 111.212 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -46.79 -38.28 9.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.307 1.443 . . . . 0.0 111.728 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.19 -26.12 68.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.732 1.213 . . . . 0.0 113.665 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.26 -47.36 50.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.054 0.843 . . . . 0.0 109.846 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 122.705 0.402 . . . . 0.0 110.234 179.702 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.287 0.565 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.09 139.66 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.899 1.28 . . . . 0.0 110.158 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 mt -135.13 164.95 26.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.48 107.17 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 166.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 129.81 56.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.899 1.68 . . . . 0.0 110.05 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.24 165.98 12.33 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.855 1.207 . . . . 0.0 112.743 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 m -59.49 137.1 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.646 -169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.45 83.5 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.064 0.84 . . . . 0.0 114.208 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -97.3 172.14 7.98 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.63 1.215 . . . . 0.0 111.376 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -135.55 158.92 43.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -169.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -137.5 156.96 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.989 2.115 . . . . 0.0 107.843 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -132.01 152.98 50.82 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.272 -0.893 . . . . 0.0 113.047 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.18 136.99 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.374 1.469 . . . . 0.0 109.323 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.49 -137.31 50.28 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -119.15 -4.26 10.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.742 0.817 . . . . 0.0 112.101 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -128.83 -3.24 5.24 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.24 131.25 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.878 0.763 . . . . 0.0 110.685 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -123.3 141.88 51.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.205 1.002 . . . . 0.0 109.387 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -118.69 138.63 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.849 1.259 . . . . 0.0 108.213 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -132.57 129.64 39.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.224 0.61 . . . . 0.0 109.898 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -85.13 103.58 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.53 -29.85 61.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.082 -0.387 . . . . 0.0 111.119 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.15 34.81 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 122.967 0.318 . . . . 0.0 113.705 170.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.47 154.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.714 0.806 . . . . 0.0 112.159 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -144.05 89.91 2.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.185 1.394 . . . . 0.0 108.697 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.03 -112.91 5.3 Favored Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.809 -0.557 . . . . 0.0 111.778 -175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -89.24 -22.38 22.76 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.559 0.68 . . . . 0.0 111.624 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.11 142.85 43.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.215 0.606 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.4 116.71 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -85.94 123.92 31.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.45 132.6 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.674 0.79 . . . . 0.0 110.06 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.0 139.12 14.24 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.324 0.964 . . . . 0.0 111.374 172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -128.76 108.89 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.104 1.361 . . . . 0.0 108.285 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -106.6 98.97 8.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.83 58.61 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.972 0.909 . . . . 0.0 109.389 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.68 150.99 58.14 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 121.902 1.735 . . . . 0.0 111.3 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -60.92 -8.06 2.87 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.443 1.097 . . . . 0.0 112.795 172.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.85 -28.03 69.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.73 2.012 . . . . 0.0 111.909 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.73 155.13 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.26 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.5 151.06 22.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 122.183 -0.323 . . . . 0.0 111.848 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.06 128.22 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.143 0.577 . . . . 0.0 110.338 169.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -150.44 172.77 14.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.976 0.91 . . . . 0.0 110.754 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -69.46 161.4 29.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.94 -29.4 70.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 122.164 -0.335 . . . . 0.0 111.64 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.45 -54.58 45.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.812 . . . . 0.0 110.99 170.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 mm -74.06 -34.16 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.451 0.7 . . . . 0.0 110.084 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 124.914 1.286 . . . . 0.0 112.82 178.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.0 145.87 29.52 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.773 0.429 . . . . 0.0 111.062 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.05 135.59 63.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.92 165.0 24.88 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.852 1.261 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 100.66 6.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 168.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.02 130.57 53.2 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.465 1.506 . . . . 0.0 110.384 -174.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.65 165.01 12.73 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.613 1.097 . . . . 0.0 112.8 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -58.81 136.96 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.578 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 -5.74 82.06 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.26 0.933 . . . . 0.0 114.065 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -95.07 169.57 10.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.623 1.212 . . . . 0.0 111.395 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 55.8 m -135.47 159.93 40.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -139.95 158.87 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.849 2.059 . . . . 0.0 107.954 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -136.87 151.37 49.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.469 -0.769 . . . . 0.0 112.596 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.04 140.89 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.725 1.21 . . . . 0.0 109.241 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.11 -133.36 48.94 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.37 10.12 7.32 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.18 0.992 . . . . 0.0 111.837 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.32 -16.29 1.22 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -104.43 136.5 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.04 0.836 . . . . 0.0 110.553 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -127.6 142.94 51.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.349 1.06 . . . . 0.0 110.31 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.69 140.45 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.492 1.517 . . . . 0.0 108.264 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -134.73 130.11 35.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.986 0.515 . . . . 0.0 109.815 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -82.26 110.25 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.19 -27.71 29.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.26 -175.01 33.35 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.401 0.524 . . . . 0.0 113.4 169.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.04 152.37 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.557 0.743 . . . . 0.0 111.897 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -141.86 89.98 2.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.163 1.385 . . . . 0.0 108.634 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.36 -110.86 3.75 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.06 -22.83 20.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.565 0.682 . . . . 0.0 111.822 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -73.84 141.9 46.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.053 0.541 . . . . 0.0 109.864 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.67 116.51 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -86.02 125.45 33.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.73 138.75 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.025 0.93 . . . . 0.0 109.793 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.38 143.33 16.86 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 mt -130.82 132.83 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.654 1.181 . . . . 0.0 109.438 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -127.62 112.08 14.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.01 0.924 . . . . 0.0 109.048 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.72 157.89 75.27 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.635 0.774 . . . . 0.0 111.325 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.26 160.7 40.99 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.935 2.423 . . . . 0.0 112.171 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -64.4 -12.24 41.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.61 -15.29 61.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.807 1.243 . . . . 0.0 112.473 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.11 163.49 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.839 0.856 . . . . 0.0 111.062 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.02 161.41 14.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.155 0.582 . . . . 0.0 111.409 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.02 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.296 0.638 . . . . 0.0 110.192 170.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -154.99 169.09 24.89 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.922 0.889 . . . . 0.0 110.528 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -75.15 162.46 28.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.948 -0.47 . . . . 0.0 109.775 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -22.69 65.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -172.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.48 -43.14 97.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.82 0.848 . . . . 0.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -86.75 -37.17 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.18 0.592 . . . . 0.0 109.746 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 123.52 0.728 . . . . 0.0 112.609 -178.005 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 112.2 24.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.285 0.948 . . . . 0.0 110.047 -173.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.16 137.46 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.261 1.024 . . . . 0.0 109.104 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -132.83 151.78 51.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.885 0.874 . . . . 0.0 109.682 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -111.84 100.95 9.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.86 140.97 41.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.473 0.709 . . . . 0.0 110.343 -169.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -106.22 155.37 19.54 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -49.62 125.05 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.296 0.638 . . . . 0.0 110.777 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.52 63.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.367 0.984 . . . . 0.0 114.445 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -99.27 168.52 9.97 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.7 1.25 . . . . 0.0 111.651 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -135.22 150.03 50.01 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 9.9 mm -108.41 155.99 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.641 1.576 . . . . 0.0 109.547 168.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -127.38 138.54 53.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.44 1.096 . . . . 0.0 110.202 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -133.76 131.0 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 0.0 109.579 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.92 -126.99 24.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -130.03 2.08 4.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.654 0.782 . . . . 0.0 112.365 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -135.55 -22.65 1.47 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mt -101.12 140.14 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.428 0.691 . . . . 0.0 110.33 -172.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -137.13 145.21 43.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.802 0.841 . . . . 0.0 109.154 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.85 141.65 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.49 1.116 . . . . 0.0 108.193 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -137.82 133.55 34.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.516 0.598 . . . . 0.0 110.178 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.88 101.99 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 169.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.89 -26.71 57.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.901 -0.499 . . . . 0.0 110.387 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.37 39.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 167.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.45 145.55 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.466 1.107 . . . . 0.0 111.257 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -138.29 63.88 1.52 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.948 1.299 . . . . 0.0 110.175 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.21 -122.43 6.5 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -173.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.97 -7.87 59.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.267 0.627 . . . . 0.0 112.37 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -106.63 154.33 21.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.863 0.865 . . . . 0.0 112.482 172.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -136.86 123.44 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.494 1.518 . . . . 0.0 110.168 -168.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -87.41 101.97 14.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.639 1.176 . . . . 0.0 112.108 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.28 134.63 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.275 1.43 . . . . 0.0 109.213 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.01 139.75 15.36 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.079 0.847 . . . . 0.0 111.685 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.0 mt -113.6 134.47 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.287 1.435 . . . . 0.0 108.356 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -124.56 74.99 1.37 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.175 0.99 . . . . 0.0 109.351 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.86 40.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.804 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.3 155.06 56.33 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.447 2.098 . . . . 0.0 110.499 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -68.23 -1.47 6.23 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.16 -30.97 71.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.965 0.906 . . . . 0.0 111.487 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.95 144.05 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 123.743 0.817 . . . . 0.0 111.324 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.76 143.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.928 0.891 . . . . 0.0 110.855 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.69 128.71 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 118.117 0.417 . . . . 0.0 110.648 173.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -153.54 -176.0 5.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.596 1.159 . . . . 0.0 109.933 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 169.7 12.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.41 -39.24 82.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -168.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.08 -7.14 44.44 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.11 -28.74 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.784 1.234 . . . . 0.0 110.701 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 O-C-N 121.342 -0.849 . . . . 0.0 110.646 -172.732 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.09 118.7 35.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.993 1.317 . . . . 0.0 107.68 169.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.6 mt -116.08 137.44 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.938 0.495 . . . . 0.0 112.072 -165.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.99 137.68 41.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.038 1.335 . . . . 0.0 110.694 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -116.35 101.02 8.3 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -128.57 153.41 47.25 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.107 0.963 . . . . 0.0 112.125 -168.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -82.34 155.44 24.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.177 0.991 . . . . 0.0 110.418 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.64 134.7 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 121.058 0.456 . . . . 0.0 110.53 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.72 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.698 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.01 156.65 21.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.094 1.447 . . . . 0.0 112.531 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -121.4 146.58 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.401 1.08 . . . . 0.0 111.497 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.9 mt -136.82 153.41 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.6 1.56 . . . . 0.0 109.106 -169.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.35 143.6 42.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 O-C-N 121.56 -0.713 . . . . 0.0 112.772 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.28 130.67 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.51 1.124 . . . . 0.0 109.834 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -137.78 49.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 -1.13 10.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.635 0.774 . . . . 0.0 112.288 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.59 -20.56 10.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.516 0.726 . . . . 0.0 112.921 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.74 135.02 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -130.8 149.41 52.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 109.807 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -128.98 147.48 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 126.262 1.825 . . . . 0.0 107.903 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -141.69 130.95 23.51 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.001 -0.437 . . . . 0.0 110.231 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.26 104.72 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.56 -29.87 52.38 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.982 -0.449 . . . . 0.0 110.668 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.35 -178.86 35.31 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 122.681 0.181 . . . . 0.0 113.15 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.44 152.62 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.088 0.555 . . . . 0.0 110.808 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -135.32 78.59 1.74 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.745 1.218 . . . . 0.0 108.911 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.48 -117.2 4.46 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.43 7.36 42.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.229 0.612 . . . . 0.0 111.037 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -98.94 154.21 18.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.088 0.955 . . . . 0.0 110.304 170.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -141.32 115.66 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.149 0.58 . . . . 0.0 109.485 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -82.16 117.66 22.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.115 0.966 . . . . 0.0 109.466 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.42 131.59 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 109.956 -172.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.62 143.29 16.43 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 123.439 0.543 . . . . 0.0 112.02 172.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.46 129.78 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.04 0.936 . . . . 0.0 109.269 173.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -132.15 74.99 1.61 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.261 -168.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.53 157.75 45.03 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.344 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -59.68 156.61 36.43 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.697 1.598 . . . . 0.0 110.179 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -0.93 18.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.72 0.771 . . . . 0.0 111.178 176.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.84 -23.1 66.6 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.837 1.655 . . . . 0.0 111.755 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.25 144.12 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.271 1.029 . . . . 0.0 109.985 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.421 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.21 142.26 29.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.601 0.715 . . . . 0.0 111.661 170.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 t -142.65 96.14 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.79 -166.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.421 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -146.64 159.15 43.81 Favored 'General case' 0 N--CA 1.457 -0.087 0 O-C-N 121.938 -0.476 . . . . 0.0 111.912 178.172 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.0 ptt-85 -67.78 159.94 29.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.98 0.512 . . . . 0.0 111.924 171.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -56.87 -40.28 75.89 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.274 0.63 . . . . 0.0 112.488 -171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.75 -11.88 59.35 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.16 -50.55 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 110.204 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -50.51 -37.05 36.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.794 1.238 . . . . 0.0 111.977 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.11 -21.73 62.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.0 -41.07 29.87 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.317 0.962 . . . . 0.0 110.091 169.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.2 -39.73 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.23 4.9 18.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.3 46.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.178 0.591 . . . . 0.0 111.455 168.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.3 48.45 0.09 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 123.558 0.599 . . . . 0.0 113.883 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.0 -176.37 2.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 117.677 0.738 . . . . 0.0 112.55 -168.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -128.67 -178.35 4.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.232 1.413 . . . . 0.0 109.575 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.87 121.16 2.32 Favored Pre-proline 0 N--CA 1.454 -0.255 0 C-N-CA 124.102 0.961 . . . . 0.0 111.325 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -57.03 137.61 82.68 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.041 2.494 . . . . 0.0 113.204 -169.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.455 -0.213 0 C-N-CA 125.231 1.412 . . . . 0.0 113.397 172.74 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 110.57 20.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 165.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.2 134.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.128 0.971 . . . . 0.0 109.795 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.83 134.99 48.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.084 0.953 . . . . 0.0 109.554 169.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 62.9 p -92.98 140.74 29.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.782 0.433 . . . . 0.0 110.917 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -139.25 132.04 29.14 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.662 0.785 . . . . 0.0 110.348 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -75.94 153.55 36.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 168.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.78 135.32 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 121.257 -0.902 . . . . 0.0 111.735 -174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -4.09 81.7 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.714 1.15 . . . . 0.0 114.237 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -85.94 174.37 9.3 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.33 1.565 . . . . 0.0 112.578 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -133.86 157.58 45.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -167.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -141.23 153.38 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 128.046 2.538 . . . . 0.0 108.049 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -131.14 147.67 52.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.29 -0.882 . . . . 0.0 111.975 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -133.9 136.95 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.698 1.199 . . . . 0.0 108.869 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -141.09 42.14 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 123.614 0.626 . . . . 0.0 111.717 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -116.87 7.08 13.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.997 0.919 . . . . 0.0 111.421 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.28 -12.39 5.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.085 0.954 . . . . 0.0 113.306 -169.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.85 138.68 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 118.714 0.688 . . . . 0.0 110.969 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -127.41 138.94 53.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.678 1.191 . . . . 0.0 109.347 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -122.06 142.36 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.693 1.197 . . . . 0.0 108.39 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.08 130.0 28.47 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.852 -0.53 . . . . 0.0 110.787 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.35 117.15 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.0 -37.73 14.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.04 -0.412 . . . . 0.0 109.907 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.67 -177.88 43.54 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.537 -0.363 . . . . 0.0 113.686 169.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.88 154.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.485 0.714 . . . . 0.0 110.357 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.0 p -148.37 100.18 3.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.091 0.956 . . . . 0.0 109.016 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.72 -126.0 20.67 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.31 1.41 54.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.824 0.85 . . . . 0.0 112.036 173.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -87.88 155.51 19.83 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.514 0.726 . . . . 0.0 110.715 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.9 120.01 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.453 1.101 . . . . 0.0 108.546 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -81.24 113.28 19.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -118.19 130.11 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.789 1.236 . . . . 0.0 109.5 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.93 15.32 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.049 0.833 . . . . 0.0 111.915 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.2 mt -127.01 116.75 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 124.907 1.283 . . . . 0.0 108.783 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -116.06 98.06 6.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.504 0.722 . . . . 0.0 109.768 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.61 78.33 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.433 1.093 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -62.04 152.64 74.2 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.489 2.126 . . . . 0.0 111.161 171.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.65 -1.0 2.36 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.495 0.718 . . . . 0.0 112.523 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.78 -22.77 66.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.453 1.101 . . . . 0.0 111.505 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.19 144.65 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.117 0.967 . . . . 0.0 110.535 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.41 154.8 21.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.704 0.402 . . . . 0.0 110.887 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.41 129.81 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 C-N-CA 122.947 0.499 . . . . 0.0 109.829 173.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -156.25 160.22 39.59 Favored 'General case' 0 CA--C 1.524 -0.047 0 C-N-CA 123.237 0.615 . . . . 0.0 111.631 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -74.82 160.47 30.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 166.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.8 -33.23 72.68 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.277 0.631 . . . . 0.0 112.181 -169.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.31 -42.48 77.69 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 111.761 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -93.44 -30.16 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.542 0.737 . . . . 0.0 110.907 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.27 -36.07 40.43 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.732 0.813 . . . . 0.0 112.263 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -59.75 -31.83 70.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.595 0.758 . . . . 0.0 112.316 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -69.05 -37.48 78.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.41 0.684 . . . . 0.0 111.739 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.454 -0.254 0 O-C-N 122.057 -0.402 . . . . 0.0 110.199 178.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -106.01 118.48 36.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.701 1.2 . . . . 0.0 109.342 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.78 135.26 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.789 1.235 . . . . 0.0 108.906 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.6 134.96 27.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.762 1.225 . . . . 0.0 108.415 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 109.94 20.92 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -170.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.85 130.54 56.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.083 -0.386 . . . . 0.0 111.255 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.78 151.94 45.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.126 0.489 . . . . 0.0 110.576 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -57.85 137.07 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.318 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.06 86.88 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.999 -0.889 . . . . 0.0 114.129 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -94.3 171.46 8.81 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.014 1.407 . . . . 0.0 111.859 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 158.41 38.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -168.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mt -139.06 157.96 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 127.143 2.177 . . . . 0.0 108.414 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -131.91 152.76 50.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.004 0.921 . . . . 0.0 111.573 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.73 134.51 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.077 1.351 . . . . 0.0 109.278 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -137.16 50.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -122.56 7.42 9.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.969 0.908 . . . . 0.0 111.861 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -133.14 -13.3 2.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.38 133.75 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 118.832 0.742 . . . . 0.0 110.638 -172.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 14.5 m -116.17 148.63 40.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.086 0.954 . . . . 0.0 109.847 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -129.64 143.51 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 125.858 1.663 . . . . 0.0 107.807 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -139.09 133.04 31.01 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 121.779 -0.576 . . . . 0.0 110.008 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -88.66 94.53 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.42 -30.59 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.862 -0.524 . . . . 0.0 110.963 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.76 -175.17 39.17 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.7 -0.286 . . . . 0.0 113.437 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 m -108.64 157.49 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.486 0.714 . . . . 0.0 111.003 170.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.6 80.16 1.65 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.376 1.07 . . . . 0.0 109.298 170.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.51 -118.06 4.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.91 -7.12 40.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.398 0.679 . . . . 0.0 110.685 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -79.69 156.63 27.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.141 0.576 . . . . 0.0 110.828 173.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -136.37 124.46 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.012 0.925 . . . . 0.0 108.821 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.45 113.05 18.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.54 121.96 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.728 0.811 . . . . 0.0 109.075 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.54 136.68 12.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.64 142.17 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 108.698 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.437 0.695 . . . . 0.0 109.225 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.24 157.85 52.29 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.648 1.179 . . . . 0.0 109.826 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.88 150.21 89.07 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.009 1.806 . . . . 0.0 110.332 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.36 -1.65 6.83 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.95 -23.52 66.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.91 1.284 . . . . 0.0 111.698 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.4 159.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.219 1.008 . . . . 0.0 111.135 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.41 157.05 16.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.616 0.767 . . . . 0.0 112.707 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -152.79 121.67 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 122.865 0.466 . . . . 0.0 110.224 167.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -147.77 172.2 14.48 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.821 0.849 . . . . 0.0 111.54 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -71.71 157.43 37.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.861 0.464 . . . . 0.0 110.203 168.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.89 -35.43 76.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.281 0.632 . . . . 0.0 111.548 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.92 -28.3 68.18 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.407 0.683 . . . . 0.0 112.66 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.43 -37.05 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.698 1.199 . . . . 0.0 110.621 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.51 -41.66 66.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 110.829 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.16 -26.24 68.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -74.62 -38.74 62.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 123.637 0.775 . . . . 0.0 110.974 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.128 0.489 . . . . 0.0 109.773 -177.367 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.23 137.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.969 0.908 . . . . 0.0 109.581 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -138.53 164.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.236 1.414 . . . . 0.0 111.136 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -133.23 107.02 7.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -119.07 139.57 51.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.086 1.354 . . . . 0.0 110.507 -174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -96.98 169.57 9.74 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 m -60.21 138.22 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.48 84.57 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 124.071 0.844 . . . . 0.0 114.335 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -94.75 169.33 10.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.585 1.193 . . . . 0.0 111.461 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -133.14 156.73 46.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -169.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.38 153.23 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 126.321 1.848 . . . . 0.0 107.905 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.76 150.77 51.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.587 -0.696 . . . . 0.0 112.608 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.72 136.97 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.986 1.315 . . . . 0.0 109.597 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.76 49.31 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -124.36 8.93 8.46 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.802 0.841 . . . . 0.0 111.961 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -136.76 -6.73 1.91 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -170.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.57 132.64 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-N 118.912 0.778 . . . . 0.0 110.639 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.0 m -127.75 142.59 51.27 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 110.157 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -122.07 141.17 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.483 1.513 . . . . 0.0 108.24 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 45.7 m -137.3 128.5 27.86 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.019 0.528 . . . . 0.0 110.023 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.59 109.95 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.9 -31.17 56.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.624 0.37 . . . . 0.0 110.746 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -173.26 34.68 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.24 0.448 . . . . 0.0 113.359 169.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.46 159.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 123.41 0.684 . . . . 0.0 112.413 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.98 91.26 1.76 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.962 1.305 . . . . 0.0 109.066 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.21 -116.45 6.25 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 121.705 -0.622 . . . . 0.0 111.789 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -88.87 -18.97 26.48 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.593 0.697 . . . . 0.0 111.295 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -78.29 146.59 34.72 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.983 0.897 . . . . 0.0 110.73 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -140.99 113.21 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -87.16 123.32 32.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -129.86 134.17 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.43 0.692 . . . . 0.0 110.614 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.58 140.96 15.17 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.275 0.94 . . . . 0.0 111.578 171.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.34 124.31 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.822 1.249 . . . . 0.0 109.033 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -122.98 100.14 6.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.325 0.65 . . . . 0.0 109.654 -172.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.58 71.9 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.206 1.002 . . . . 0.0 110.814 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.65 159.24 41.99 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.161 2.574 . . . . 0.0 112.159 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -72.95 -0.9 14.97 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 171.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.15 -21.85 66.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.307 1.043 . . . . 0.0 111.44 168.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.82 159.42 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.265 1.026 . . . . 0.0 110.69 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.38 157.22 16.0 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.099 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.06 125.91 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.376 0.67 . . . . 0.0 109.702 169.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -147.58 165.99 28.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.872 0.869 . . . . 0.0 110.066 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -66.42 156.68 33.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.25 -19.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.988 -0.445 . . . . 0.0 111.403 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.81 -46.92 88.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.374 1.069 . . . . 0.0 111.477 168.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 mm -83.76 -34.79 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.308 1.043 . . . . 0.0 110.412 -170.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 124.946 1.299 . . . . 0.0 113.098 179.651 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.796 -0.076 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.9 147.21 23.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.113 -0.367 . . . . 0.0 111.521 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 135.4 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 124.049 0.94 . . . . 0.0 108.495 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -134.62 163.36 29.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.167 0.987 . . . . 0.0 109.259 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -131.59 96.94 4.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 109.453 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . 0.414 ' HD3' HD12 ' F' ' 12' ' ' ILE . 9.1 ttp180 -104.99 162.13 13.62 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.995 1.318 . . . . 0.0 110.603 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -119.46 168.43 10.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 m -54.98 134.91 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.568 -170.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 -9.35 72.21 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.292 0.949 . . . . 0.0 114.643 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.17 175.63 6.87 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.25 1.525 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -141.07 163.98 31.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . 0.414 HD12 ' HD3' ' F' ' 6' ' ' ARG . 20.5 mt -149.88 153.72 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.82 2.448 . . . . 0.0 107.748 -171.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -127.61 152.43 47.66 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.901 0.88 . . . . 0.0 112.462 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.04 141.79 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.512 1.125 . . . . 0.0 109.083 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.44 49.47 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -122.27 9.96 9.87 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 112.017 172.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.74 -14.38 1.23 Allowed 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.95 139.95 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 119.152 0.887 . . . . 0.0 110.827 -172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.4 143.78 51.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.349 1.06 . . . . 0.0 110.229 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -126.64 137.0 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.585 1.554 . . . . 0.0 108.658 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -136.62 129.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.624 0.77 . . . . 0.0 110.411 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.03 109.71 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 173.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 28.7 mt -82.53 -31.97 28.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.021 0.529 . . . . 0.0 110.881 -170.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -174.95 35.88 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.617 0.627 . . . . 0.0 113.083 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.89 153.3 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.426 0.69 . . . . 0.0 112.077 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.11 89.92 2.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.273 1.429 . . . . 0.0 109.031 169.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.42 -106.05 1.69 Allowed Glycine 0 CA--C 1.525 0.697 0 O-C-N 121.814 -0.554 . . . . 0.0 111.962 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.99 -21.94 17.7 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.547 0.673 . . . . 0.0 111.93 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.61 143.22 48.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.22 0.533 . . . . 0.0 110.001 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.53 116.46 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.02 127.73 35.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.2 141.17 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.492 -168.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.01 139.94 15.12 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 124.088 0.851 . . . . 0.0 111.148 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.11 143.13 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.756 1.223 . . . . 0.0 109.202 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -131.41 109.76 10.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.156 0.982 . . . . 0.0 108.978 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.07 157.13 78.37 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.829 0.852 . . . . 0.0 111.484 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.99 162.35 32.92 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.053 2.502 . . . . 0.0 112.192 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.78 -4.86 30.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.453 0.701 . . . . 0.0 112.674 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.79 -20.21 64.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.572 1.149 . . . . 0.0 112.432 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -128.39 164.64 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.896 0.879 . . . . 0.0 110.949 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.24 161.68 13.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.44 0.696 . . . . 0.0 111.209 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.79 124.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.384 0.673 . . . . 0.0 110.411 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -152.65 174.86 13.45 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 110.596 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -72.02 161.88 30.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.01 -28.45 69.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.005 -0.435 . . . . 0.0 112.094 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -42.66 81.27 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.461 1.104 . . . . 0.0 111.944 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.95 -31.54 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 110.639 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 112.855 177.676 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.8 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 105.77 17.97 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.505 0.722 . . . . 0.0 109.079 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.29 135.52 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.655 0.782 . . . . 0.0 109.041 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.8 mt -128.88 162.02 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.191 0.996 . . . . 0.0 109.611 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.7 m -124.28 105.76 9.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -95.83 165.91 12.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.385 1.074 . . . . 0.0 108.801 -169.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.28 151.2 51.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -48.31 121.35 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.94 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.88 -7.65 55.37 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.234 1.397 . . . . 0.0 114.663 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -80.22 149.83 30.3 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.932 1.366 . . . . 0.0 112.282 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 m -124.97 142.7 51.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.574 0.75 . . . . 0.0 112.588 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 36.3 mm -122.74 155.47 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.496 1.919 . . . . 0.0 108.514 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -130.16 135.23 47.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.602 1.161 . . . . 0.0 109.422 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.21 133.86 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.778 0.831 . . . . 0.0 109.325 -173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -127.57 33.09 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.01 0.09 5.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.746 0.819 . . . . 0.0 112.53 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -134.18 -14.13 2.35 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.6 mt -108.38 138.9 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.589 0.755 . . . . 0.0 110.463 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -135.56 143.62 45.77 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.164 0.986 . . . . 0.0 109.601 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -127.48 138.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.544 1.138 . . . . 0.0 108.797 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -133.62 137.22 45.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.643 0.777 . . . . 0.0 110.374 -176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -91.11 103.47 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.76 -27.23 50.28 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.876 -0.515 . . . . 0.0 110.495 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.86 -168.61 40.82 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 117.667 0.212 . . . . 0.0 113.61 169.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.83 145.18 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.955 0.902 . . . . 0.0 110.58 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -136.98 65.93 1.49 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.1 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -117.95 6.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -86.95 -5.05 59.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 112.546 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -108.22 153.52 23.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.666 0.746 . . . . 0.0 112.732 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -125.47 131.87 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 126.247 1.819 . . . . 0.0 108.473 -172.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -104.64 102.03 11.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.451 0.7 . . . . 0.0 110.274 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -109.3 137.63 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 109.891 -174.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 140.3 16.02 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.253 0.93 . . . . 0.0 111.702 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.46 138.77 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.321 1.448 . . . . 0.0 108.269 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -126.95 75.53 1.58 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.618 1.167 . . . . 0.0 109.3 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.38 154.1 46.47 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.238 1.415 . . . . 0.0 110.691 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.03 154.08 57.69 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.48 2.12 . . . . 0.0 110.606 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.25 -6.38 18.07 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.75 -25.68 65.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.037 0.935 . . . . 0.0 112.255 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.73 144.0 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.873 0.844 . . . . 0.0 112.033 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.1 36.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.793 1.237 . . . . 0.0 111.567 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -130.21 120.36 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.421 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -148.94 158.79 44.44 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.015 0.526 . . . . 0.0 111.932 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.15 166.11 23.99 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.296 0.638 . . . . 0.0 110.612 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -62.09 -41.27 98.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.566 -0.709 . . . . 0.0 112.472 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -76.95 2.89 13.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.08 -11.18 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.481 1.112 . . . . 0.0 111.184 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.45 -0.457 0 O-C-N 120.303 -1.498 . . . . 0.0 110.53 169.639 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.5 120.86 41.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.377 1.471 . . . . 0.0 107.314 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.6 mt -119.06 137.31 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -164.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -142.26 150.4 40.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.529 1.132 . . . . 0.0 111.436 -169.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -101.81 134.17 45.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.0 123.83 35.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.498 1.119 . . . . 0.0 109.919 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -73.72 155.99 38.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.129 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -59.6 126.83 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -6.75 61.72 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 118.894 -0.948 . . . . 0.0 115.023 -173.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -88.94 169.65 11.36 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.311 1.556 . . . . 0.0 111.913 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -140.99 158.78 43.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -168.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mm -133.82 154.26 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.344 2.258 . . . . 0.0 108.691 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -133.22 139.5 47.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.555 1.142 . . . . 0.0 110.426 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -131.27 134.39 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.974 0.91 . . . . 0.0 109.879 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -135.58 50.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -122.14 4.93 9.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.815 0.846 . . . . 0.0 112.049 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -125.82 -17.45 5.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.1 138.15 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 118.84 0.745 . . . . 0.0 110.827 -169.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -136.46 149.76 48.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.808 1.243 . . . . 0.0 109.94 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -130.94 143.73 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.877 1.671 . . . . 0.0 108.456 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -141.07 126.1 18.3 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.172 0.589 . . . . 0.0 110.708 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -77.92 117.93 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.76 -32.16 21.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.166 -0.334 . . . . 0.0 110.967 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.43 173.34 31.0 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 122.518 0.104 . . . . 0.0 113.124 171.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.2 153.66 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.129 0.49 . . . . 0.0 110.903 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -137.4 76.17 1.57 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.768 1.227 . . . . 0.0 109.123 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.74 -116.97 4.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.06 9.05 40.64 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.226 0.611 . . . . 0.0 111.401 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.89 152.18 20.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.597 1.159 . . . . 0.0 109.914 169.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.71 111.94 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.434 0.694 . . . . 0.0 110.108 -168.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.0 119.67 27.45 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.508 1.123 . . . . 0.0 110.245 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.42 136.47 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 124.015 0.926 . . . . 0.0 110.619 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.15 142.78 16.19 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 123.325 0.488 . . . . 0.0 112.303 169.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.79 134.0 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.835 0.854 . . . . 0.0 109.56 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -133.08 74.92 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.53 -168.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.59 156.73 51.09 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.085 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' B' ' 39' ' ' ASP . 18.9 Cg_endo -56.77 152.45 42.2 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.648 1.566 . . . . 0.0 110.319 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -65.67 -0.71 2.24 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.437 0.695 . . . . 0.0 111.998 171.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.9 t70 -65.94 -30.96 71.62 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 112.022 172.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -104.96 144.13 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.499 1.12 . . . . 0.0 110.616 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.427 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -84.48 141.76 30.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.469 0.652 . . . . 0.0 111.863 169.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.9 97.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.825 -166.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.427 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -147.5 158.74 44.12 Favored 'General case' 0 C--N 1.337 0.032 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 178.219 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -63.08 155.81 26.73 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.156 0.983 . . . . 0.0 111.903 169.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.04 -43.77 63.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.824 0.85 . . . . 0.0 112.091 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.97 -12.08 52.4 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -98.51 -49.59 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.147 0.979 . . . . 0.0 110.292 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.36 -37.02 34.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.213 1.405 . . . . 0.0 112.181 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -69.81 -23.6 63.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -79.03 -38.48 36.46 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.981 0.81 . . . . 0.0 110.551 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.02 -41.06 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.55 5.13 13.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 -17.92 47.32 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.025 0.53 . . . . 0.0 111.863 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.361 -0.688 . . . . 0.0 114.58 169.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -175.8 2.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.986 0.893 . . . . 0.0 112.865 -168.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.2 p -125.98 176.78 6.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.408 1.483 . . . . 0.0 109.174 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.94 119.1 0.96 Allowed Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.647 1.179 . . . . 0.0 112.008 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -67.53 175.94 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.228 1.952 . . . . 0.0 113.308 -171.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.453 -0.289 0 C-N-CA 123.93 0.892 . . . . 0.0 112.419 173.14 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.87 107.14 16.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 166.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.64 134.35 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 123.861 0.864 . . . . 0.0 109.523 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.08 135.26 47.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.475 1.11 . . . . 0.0 109.668 169.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 34.0 p -94.17 147.14 23.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.21 0.529 . . . . 0.0 110.863 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -137.37 145.08 42.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.537 0.735 . . . . 0.0 110.027 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.489 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.4 tptm -83.32 155.41 23.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 168.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.85 130.82 22.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 118.996 0.816 . . . . 0.0 111.519 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 -4.93 79.26 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.608 1.099 . . . . 0.0 114.095 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.65 170.58 11.69 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.127 1.464 . . . . 0.0 111.895 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -132.96 158.23 43.18 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -167.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.78 159.03 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 127.209 2.204 . . . . 0.0 108.102 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -126.32 143.46 51.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.71 0.804 . . . . 0.0 111.235 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.03 151.49 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' C' ' 17' ' ' ASP . . . 8.23 121.8 0.0 OUTLIER Glycine 0 C--N 1.34 0.805 0 C-N-CA 128.212 2.815 . . . . 0.0 110.438 -174.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -53.62 9.99 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 -155.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' C' ' 15' ' ' GLY . 36.9 m-20 -94.69 -16.04 23.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.795 1.638 . . . . 0.0 111.588 162.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.35 141.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 121.083 1.765 . . . . 0.0 112.795 -171.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -124.88 146.34 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.753 1.221 . . . . 0.0 109.594 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -127.43 145.97 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.333 1.453 . . . . 0.0 108.474 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.97 139.86 38.05 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.966 0.506 . . . . 0.0 110.143 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.18 117.67 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 168.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -87.37 -47.2 8.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.81 -0.556 . . . . 0.0 109.967 -170.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.76 175.5 46.56 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.392 168.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.0 149.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.309 0.644 . . . . 0.0 110.642 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -142.56 97.7 3.16 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.391 1.076 . . . . 0.0 108.444 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.43 -128.49 15.75 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -169.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -93.46 1.55 56.79 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.871 0.868 . . . . 0.0 112.116 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.71 153.05 22.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.648 0.779 . . . . 0.0 110.729 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.77 127.15 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.081 0.952 . . . . 0.0 109.249 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -85.58 117.91 24.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.14 129.87 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.817 1.247 . . . . 0.0 109.259 -172.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.79 140.17 14.92 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.103 1.335 . . . . 0.0 111.848 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.4 mt -133.65 132.82 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -138.05 90.01 2.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.972 0.415 . . . . 0.0 110.498 -172.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.07 156.42 79.21 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.537 1.135 . . . . 0.0 110.26 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.32 151.67 83.73 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.567 2.178 . . . . 0.0 110.946 170.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.02 -0.94 2.65 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.381 0.672 . . . . 0.0 112.671 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.92 -22.0 66.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.404 1.082 . . . . 0.0 111.319 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.14 148.71 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 124.29 1.036 . . . . 0.0 110.643 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.78 157.01 21.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.794 0.438 . . . . 0.0 111.464 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.66 132.56 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 169.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -154.51 165.24 37.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.841 0.856 . . . . 0.0 111.029 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.14 159.11 26.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 166.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.03 -27.08 68.87 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.488 0.586 . . . . 0.0 111.745 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.29 -27.94 66.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.319 0.647 . . . . 0.0 112.713 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.7 -37.06 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.629 0.772 . . . . 0.0 110.489 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -52.2 -36.42 52.0 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.25 1.02 . . . . 0.0 112.53 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.62 -28.71 67.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 112.274 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.34 -38.54 71.64 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.628 0.771 . . . . 0.0 111.983 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 110.128 -179.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.9 mmm . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.2 111.08 10.58 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.791 2.036 . . . . 0.0 106.738 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -103.65 139.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.144 0.977 . . . . 0.0 109.839 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -127.6 166.37 18.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.777 1.231 . . . . 0.0 111.709 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.59 110.01 12.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.305 1.442 . . . . 0.0 108.169 168.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -122.98 143.64 49.78 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.772 0.429 . . . . 0.0 110.154 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -77.4 160.47 28.73 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.261 0.553 . . . . 0.0 110.044 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -55.41 138.14 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.486 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.67 -2.36 86.01 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.987 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.12 165.61 12.33 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.853 1.327 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -123.48 161.28 25.17 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -168.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -150.29 160.8 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 127.19 2.196 . . . . 0.0 108.951 -167.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -142.65 152.98 43.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.72 142.27 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.045 1.338 . . . . 0.0 109.167 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -139.31 48.66 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 123.553 0.597 . . . . 0.0 111.721 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -120.54 8.71 10.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.914 0.886 . . . . 0.0 111.903 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.02 -10.84 2.27 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.09 137.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.774 0.715 . . . . 0.0 110.482 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -121.68 145.94 47.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.443 1.097 . . . . 0.0 109.6 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.91 143.23 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.305 1.442 . . . . 0.0 107.849 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -139.59 135.19 33.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.655 -0.653 . . . . 0.0 110.026 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -89.65 105.84 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 mt -79.4 -30.42 42.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.062 0.545 . . . . 0.0 110.831 -171.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.02 -172.68 40.75 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 117.431 0.105 . . . . 0.0 113.035 170.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.72 160.74 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.401 0.68 . . . . 0.0 110.54 169.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.57 76.07 1.46 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.779 0.832 . . . . 0.0 109.283 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -115.5 4.03 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.489 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.3 mp0 -94.83 -5.97 43.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.294 0.638 . . . . 0.0 110.378 172.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.45 152.87 37.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.574 0.702 . . . . 0.0 110.718 168.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -132.36 123.83 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.433 1.493 . . . . 0.0 107.329 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -95.04 111.59 23.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.409 1.084 . . . . 0.0 108.466 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -119.53 129.32 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.49 0.716 . . . . 0.0 109.989 -169.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.09 135.54 12.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.53 138.6 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.121 0.969 . . . . 0.0 108.825 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.14 90.02 2.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.267 0.627 . . . . 0.0 109.842 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.16 155.55 58.15 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.371 1.068 . . . . 0.0 110.02 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.35 151.17 81.19 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.393 2.062 . . . . 0.0 110.665 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.46 -1.01 5.65 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.95 -21.69 66.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.254 1.021 . . . . 0.0 111.309 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.7 160.01 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.375 1.07 . . . . 0.0 110.753 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.65 157.09 16.93 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.477 0.711 . . . . 0.0 112.182 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.28 128.91 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 O-C-N 121.554 -0.716 . . . . 0.0 110.211 168.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -150.07 164.6 35.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.718 0.807 . . . . 0.0 111.616 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.92 156.66 30.35 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.74 -37.08 77.98 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.892 -0.505 . . . . 0.0 111.663 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -65.81 -26.14 67.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.888 0.875 . . . . 0.0 112.932 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -88.09 -45.04 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.917 0.887 . . . . 0.0 110.202 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -48.68 -34.71 12.42 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.25 1.82 . . . . 0.0 112.906 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.69 -24.62 67.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.418 1.087 . . . . 0.0 113.315 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -48.01 19.5 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 119.173 0.897 . . . . 0.0 109.728 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.47 ' CD1' ' H ' ' D' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 127.092 2.157 . . . . 0.0 110.697 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -105.97 139.99 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.966 0.906 . . . . 0.0 109.363 173.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.26 165.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.402 1.481 . . . . 0.0 111.298 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 105.16 5.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 166.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -122.39 137.65 54.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.288 -173.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -95.71 168.96 10.35 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -57.93 137.79 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.117 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -5.59 84.52 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.173 -0.793 . . . . 0.0 114.353 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -88.27 169.54 11.77 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.879 1.34 . . . . 0.0 111.739 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -134.92 155.97 49.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.486 0.66 . . . . 0.0 112.485 -170.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -140.8 157.46 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.949 1.7 . . . . 0.0 108.263 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -138.25 148.3 44.58 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mt -136.82 139.54 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.778 1.231 . . . . 0.0 109.095 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.62 50.18 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.2 10.05 7.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.065 0.946 . . . . 0.0 112.434 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -132.33 -9.69 3.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.05 135.95 52.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 119.354 0.979 . . . . 0.0 111.157 -170.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -128.25 145.79 50.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.512 1.125 . . . . 0.0 110.217 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -124.86 141.52 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.623 1.569 . . . . 0.0 108.038 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -137.43 126.6 24.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.947 0.499 . . . . 0.0 110.166 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.99 112.92 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 170.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.46 -32.16 42.58 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.976 0.51 . . . . 0.0 110.698 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -174.19 34.69 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.265 0.46 . . . . 0.0 113.419 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.45 157.87 26.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 117.511 0.655 . . . . 0.0 112.571 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -150.06 101.9 3.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.925 1.29 . . . . 0.0 109.101 168.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -116.3 5.56 Favored Glycine 0 CA--C 1.525 0.691 0 O-C-N 121.805 -0.559 . . . . 0.0 112.083 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -90.83 -16.38 28.39 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.604 0.702 . . . . 0.0 111.157 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.7 150.52 29.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.437 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.29 110.03 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 126.419 1.888 . . . . 0.0 106.212 -168.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -89.12 124.59 34.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.09 131.85 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.165 0.586 . . . . 0.0 110.971 -168.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 142.49 16.03 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.391 0.996 . . . . 0.0 111.843 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.23 128.96 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.026 1.331 . . . . 0.0 108.977 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.11 99.5 5.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.983 0.513 . . . . 0.0 109.718 -170.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 155.67 71.14 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.46 1.104 . . . . 0.0 110.434 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.95 159.12 35.17 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.769 2.313 . . . . 0.0 111.888 170.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -69.91 -0.89 8.13 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.273 0.629 . . . . 0.0 112.645 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.96 -22.75 67.05 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.653 1.181 . . . . 0.0 111.482 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.02 157.65 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.329 1.051 . . . . 0.0 110.94 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.66 156.49 16.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.88 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.06 126.99 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.209 0.604 . . . . 0.0 110.223 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -152.97 167.73 28.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.409 0.684 . . . . 0.0 111.891 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -69.11 159.39 33.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -19.8 65.87 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -60.2 -55.49 33.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.422 0.689 . . . . 0.0 110.054 169.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -71.41 -36.01 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.272 0.629 . . . . 0.0 109.966 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 124.315 1.046 . . . . 0.0 112.748 -179.31 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -95.99 148.32 22.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.75 0.42 . . . . 0.0 111.429 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.97 127.96 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.92 149.59 39.9 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.058 1.343 . . . . 0.0 108.989 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.82 96.86 5.12 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 122.003 0.906 . . . . 0.0 108.649 168.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -109.75 162.24 14.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.825 1.65 . . . . 0.0 109.118 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -114.79 177.05 4.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.74 134.79 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.098 0.475 . . . . 0.0 111.98 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.0 75.65 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 118.815 -0.992 . . . . 0.0 115.42 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 169.21 18.43 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.732 1.766 . . . . 0.0 112.64 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -136.84 143.1 42.92 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.758 1.223 . . . . 0.0 111.979 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.7 156.54 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 126.672 1.989 . . . . 0.0 108.227 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -129.21 147.24 51.04 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.645 0.778 . . . . 0.0 111.86 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.1 143.59 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.511 1.125 . . . . 0.0 109.062 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.18 -135.06 51.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -125.05 10.08 8.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.04 0.936 . . . . 0.0 112.729 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -139.09 -15.98 1.1 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.18 138.51 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.63 1.104 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 50.9 m -132.14 141.26 49.07 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.355 1.062 . . . . 0.0 110.699 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -126.76 124.43 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.874 1.27 . . . . 0.0 109.572 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -119.35 136.43 54.27 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.355 1.062 . . . . 0.0 110.066 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.55 116.83 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.36 -30.69 21.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.975 0.51 . . . . 0.0 111.048 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.08 -175.07 36.07 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 123.185 0.422 . . . . 0.0 113.582 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -118.88 159.49 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 C-N-CA 123.701 0.801 . . . . 0.0 112.046 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.57 89.93 1.67 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.665 1.186 . . . . 0.0 109.174 169.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.6 -102.92 1.26 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -100.24 -19.97 16.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.514 0.657 . . . . 0.0 112.084 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -72.62 143.45 48.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.232 0.539 . . . . 0.0 110.211 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.37 113.79 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -86.81 127.94 35.02 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.55 0.74 . . . . 0.0 109.365 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.7 147.05 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.052 0.941 . . . . 0.0 110.239 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.27 141.61 15.91 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.237 0.922 . . . . 0.0 111.25 170.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -130.82 130.82 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.264 1.026 . . . . 0.0 109.825 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -125.04 106.31 9.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.302 1.041 . . . . 0.0 109.133 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.65 157.91 76.86 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.074 0.949 . . . . 0.0 111.222 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -66.2 160.62 44.07 Favored 'Trans proline' 0 N--CA 1.449 -1.097 0 C-N-CA 122.888 2.392 . . . . 0.0 112.127 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -6.26 12.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 171.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.43 -14.87 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.818 1.247 . . . . 0.0 112.388 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.73 165.12 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.4 162.7 12.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.386 0.674 . . . . 0.0 111.462 171.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.95 127.53 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.576 0.75 . . . . 0.0 110.105 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.18 176.2 12.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.147 0.979 . . . . 0.0 110.091 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.99 163.92 23.87 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.817 -0.552 . . . . 0.0 109.878 168.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.22 -30.23 69.26 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.837 0.455 . . . . 0.0 112.105 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.48 -44.36 80.53 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.04 0.936 . . . . 0.0 111.735 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.96 -29.61 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.689 0.796 . . . . 0.0 110.456 -170.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.331 1.052 . . . . 0.0 112.563 173.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 109.43 21.34 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.584 0.753 . . . . 0.0 109.326 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.67 137.14 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.022 0.929 . . . . 0.0 109.114 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -132.44 156.19 47.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.192 0.997 . . . . 0.0 109.693 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -115.96 100.96 8.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.65 130.09 56.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.603 0.761 . . . . 0.0 110.326 -169.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -94.09 154.45 17.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.58 134.76 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 119.594 -0.843 . . . . 0.0 112.049 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 -2.71 68.32 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.705 1.145 . . . . 0.0 114.198 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -100.21 171.01 8.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.84 1.32 . . . . 0.0 111.664 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -136.15 151.34 49.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.8 mm -112.9 158.5 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 125.908 1.683 . . . . 0.0 109.781 169.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.4 140.27 52.29 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.966 1.306 . . . . 0.0 110.027 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mt -134.58 130.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.035 0.934 . . . . 0.0 109.643 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.66 -127.63 28.73 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.05 2.0 5.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.87 0.868 . . . . 0.0 112.101 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -147.55 -7.87 0.44 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -105.6 136.64 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.417 1.008 . . . . 0.0 110.431 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -129.34 143.66 50.93 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.841 0.856 . . . . 0.0 109.249 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -122.78 141.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.645 1.178 . . . . 0.0 108.235 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -135.56 127.74 29.98 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.269 0.486 . . . . 0.0 110.142 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -79.37 106.45 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.25 -35.42 63.81 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.67 -168.0 33.21 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 166.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.4 m -88.23 163.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.813 0.845 . . . . 0.0 112.422 -169.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 m -148.47 61.02 1.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.082 1.353 . . . . 0.0 109.546 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.84 -121.87 9.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -171.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.13 -0.36 44.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.61 0.764 . . . . 0.0 111.839 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.02 163.08 12.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.88 0.848 . . . . 0.0 111.559 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.6 t -140.91 128.82 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.739 1.616 . . . . 0.0 108.139 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -107.0 101.94 11.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.77 0.828 . . . . 0.0 110.373 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -108.79 132.06 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.413 1.485 . . . . 0.0 109.542 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.98 141.71 15.35 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.044 0.831 . . . . 0.0 111.876 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.9 mt -115.57 129.95 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.332 1.453 . . . . 0.0 108.183 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -119.69 74.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.232 1.015 . . . . 0.0 109.379 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.08 153.1 41.18 Favored Pre-proline 0 N--CA 1.454 -0.264 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.612 171.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.1 156.31 47.14 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.604 2.203 . . . . 0.0 110.467 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -69.46 -2.65 11.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.86 -24.74 63.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.915 0.886 . . . . 0.0 111.884 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -117.55 144.08 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.901 0.858 . . . . 0.0 111.74 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.09 143.0 30.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 110.85 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.64 130.33 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 122.678 0.391 . . . . 0.0 110.336 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -151.54 -175.89 5.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.283 1.033 . . . . 0.0 110.064 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.96 163.18 25.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 170.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -63.14 -26.45 68.82 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.31 -23.68 65.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 112.627 172.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -120.19 -26.52 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.885 1.274 . . . . 0.0 111.127 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.1 t80 . . . . . 0 N--CA 1.452 -0.372 0 O-C-N 121.335 -0.853 . . . . 0.0 110.498 -172.709 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -114.44 121.92 45.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 55.6 mt -118.01 141.41 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -165.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.39 139.17 46.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.864 1.265 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -116.23 107.75 15.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -131.16 159.31 38.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.754 0.822 . . . . 0.0 110.868 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -87.51 164.85 15.91 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.064 0.459 . . . . 0.0 112.183 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.84 134.72 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.078 0.466 . . . . 0.0 110.584 172.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.67 -3.06 67.77 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.637 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.6 162.21 18.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.087 1.444 . . . . 0.0 112.632 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -127.22 143.58 51.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.268 1.027 . . . . 0.0 111.651 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 8.4 mt -136.07 154.33 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.348 1.459 . . . . 0.0 109.298 -170.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -138.0 144.84 41.28 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -169.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.85 127.99 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.455 1.102 . . . . 0.0 109.83 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -135.59 51.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.7 4.77 6.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.756 0.822 . . . . 0.0 112.788 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -110.81 -21.76 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.72 136.01 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-N 119.023 0.829 . . . . 0.0 111.644 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -133.02 150.91 52.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.04 1.336 . . . . 0.0 109.761 170.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -130.17 146.72 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.125 1.77 . . . . 0.0 108.058 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -140.49 130.28 24.44 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.006 -0.434 . . . . 0.0 110.042 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.02 108.58 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.03 -29.92 43.87 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.09 -0.381 . . . . 0.0 110.884 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.49 -179.67 32.16 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 122.791 0.234 . . . . 0.0 112.688 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.62 153.84 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 121.237 0.542 . . . . 0.0 111.082 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -136.79 72.92 1.43 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.76 1.224 . . . . 0.0 108.718 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.3 -112.87 3.66 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.449 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -110.86 16.49 21.26 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.401 0.62 . . . . 0.0 111.712 169.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -99.0 157.24 16.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.374 1.07 . . . . 0.0 108.952 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -137.22 122.29 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.337 0.255 . . . . 0.0 110.328 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -88.24 119.96 29.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.087 0.955 . . . . 0.0 109.762 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.27 132.51 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.294 1.038 . . . . 0.0 109.88 -169.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.54 140.01 14.81 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -121.57 132.34 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.778 0.799 . . . . 0.0 109.514 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.41 75.01 1.61 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.208 -168.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.5 156.5 49.18 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.113 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -56.96 153.12 39.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.619 1.546 . . . . 0.0 110.731 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -68.18 -0.83 5.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.162 0.585 . . . . 0.0 112.051 172.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.93 -28.62 69.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.92 1.688 . . . . 0.0 112.584 171.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -106.72 144.1 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.237 1.015 . . . . 0.0 110.769 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.462 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -83.17 141.59 31.82 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.592 0.711 . . . . 0.0 112.304 170.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.54 98.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.904 -167.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.462 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.6 OUTLIER -148.73 162.04 40.56 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.814 -0.554 . . . . 0.0 111.507 -179.305 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.21 159.33 29.28 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -56.13 -33.07 64.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.651 0.781 . . . . 0.0 112.471 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.35 -55.09 31.96 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.403 1.001 . . . . 0.0 110.235 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.91 -45.52 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 110.045 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -51.03 -40.09 57.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.058 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.39 -25.47 65.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.8 -41.42 30.42 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.977 0.808 . . . . 0.0 110.241 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.23 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -80.26 4.72 16.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.98 -17.0 51.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.122 0.569 . . . . 0.0 111.861 169.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.62 47.64 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.836 169.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.91 -176.42 2.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.656 0.728 . . . . 0.0 112.501 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -128.64 179.54 5.63 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.094 1.358 . . . . 0.0 109.474 167.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.11 121.76 1.6 Allowed Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 124.445 1.098 . . . . 0.0 111.744 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.71 153.3 30.71 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.656 2.904 . . . . 0.0 113.907 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.677 1.191 . . . . 0.0 112.288 169.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 109.7 16.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.062 1.745 . . . . 0.0 106.292 164.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.49 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.739 0.816 . . . . 0.0 109.757 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.7 134.91 50.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.53 0.732 . . . . 0.0 109.473 167.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -89.51 139.13 30.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.774 0.829 . . . . 0.0 109.253 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 134.48 21.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.175 -0.328 . . . . 0.0 111.847 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.8 tptm -76.83 152.9 35.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.634 0.773 . . . . 0.0 110.193 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -58.35 138.68 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 121.768 -0.583 . . . . 0.0 111.952 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.88 82.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.59 1.09 . . . . 0.0 114.193 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.31 169.4 12.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.856 1.328 . . . . 0.0 112.983 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -125.79 155.29 41.3 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.33 1.052 . . . . 0.0 112.779 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mt -143.71 153.59 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.642 1.977 . . . . 0.0 108.81 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -124.66 148.79 47.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.104 0.962 . . . . 0.0 111.767 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -135.41 130.85 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.703 1.201 . . . . 0.0 108.969 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.53 -137.74 45.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -123.95 10.02 8.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.099 0.96 . . . . 0.0 111.864 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -119.07 -17.47 8.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.435 1.094 . . . . 0.0 113.097 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.19 139.79 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 118.784 0.72 . . . . 0.0 111.138 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -129.2 141.15 51.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.674 1.19 . . . . 0.0 109.228 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -122.05 141.58 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.798 1.239 . . . . 0.0 108.491 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.16 132.16 35.62 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.588 0.355 . . . . 0.0 110.104 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -87.01 117.57 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.56 -35.12 12.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.017 -0.427 . . . . 0.0 110.168 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.07 38.76 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 169.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -110.99 154.19 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 123.616 0.766 . . . . 0.0 110.322 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -151.62 107.95 3.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.308 1.043 . . . . 0.0 108.796 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.04 -130.82 30.35 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -169.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -92.6 1.29 57.34 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.898 0.879 . . . . 0.0 112.17 172.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.99 153.11 21.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.069 0.948 . . . . 0.0 110.752 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 36.5 t -134.5 124.19 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.047 0.939 . . . . 0.0 108.838 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.69 115.23 20.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -122.12 130.19 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.694 1.197 . . . . 0.0 109.259 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.23 136.93 12.96 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 124.003 0.811 . . . . 0.0 111.72 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -122.33 121.07 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.198 0.999 . . . . 0.0 108.901 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -120.27 95.52 4.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.977 0.511 . . . . 0.0 110.168 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.13 157.25 78.76 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 124.303 1.041 . . . . 0.0 110.115 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.59 154.32 65.78 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.698 2.265 . . . . 0.0 111.411 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.6 -1.01 3.21 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.424 0.689 . . . . 0.0 112.566 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.9 -22.39 66.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.207 1.003 . . . . 0.0 111.37 169.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.68 147.59 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.008 0.923 . . . . 0.0 110.736 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.19 156.3 23.27 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.807 0.443 . . . . 0.0 111.102 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.01 129.38 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.062 0.545 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -155.8 165.94 35.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.569 0.622 . . . . 0.0 112.071 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.62 162.03 25.54 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 166.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 123.237 0.615 . . . . 0.0 112.062 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.84 -45.31 82.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.852 0.861 . . . . 0.0 111.467 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -91.37 -30.09 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.834 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.77 -39.82 26.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.217 0.607 . . . . 0.0 111.594 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.31 -20.82 2.96 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.59 1.956 . . . . 0.0 114.137 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -87.19 -39.42 15.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 172.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . 0.421 HD13 ' H ' ' C' ' 51' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.462 0.162 0 C-N-CA 125.454 1.501 . . . . 0.0 112.661 -168.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.42 109.67 14.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.598 1.959 . . . . 0.0 106.533 166.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -93.58 135.26 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.452 1.101 . . . . 0.0 109.103 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -121.36 166.94 13.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.481 1.112 . . . . 0.0 110.491 172.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.16 109.83 14.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 168.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.52 127.51 54.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.238 -0.289 . . . . 0.0 110.309 -172.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -71.88 153.59 41.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.36 135.35 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.223 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -2.45 84.97 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.283 0.944 . . . . 0.0 114.257 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.94 171.38 9.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.137 1.469 . . . . 0.0 111.974 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -129.9 159.67 35.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -168.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mt -143.23 159.22 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 127.259 2.223 . . . . 0.0 108.607 -171.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.39 150.48 47.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 111.918 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -134.03 139.61 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.674 1.19 . . . . 0.0 109.11 177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.36 -135.69 51.65 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -122.37 3.29 9.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.012 0.925 . . . . 0.0 111.981 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.74 -11.83 3.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -170.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.61 137.26 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.679 0.672 . . . . 0.0 110.513 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -120.03 149.74 41.67 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.553 1.141 . . . . 0.0 109.487 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.38 145.97 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.63 1.572 . . . . 0.0 107.706 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -141.96 137.03 30.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.757 -0.589 . . . . 0.0 109.833 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.87 98.92 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.42 -30.54 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.583 -0.698 . . . . 0.0 111.1 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -173.66 40.59 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.592 -0.337 . . . . 0.0 113.636 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 m -112.45 159.56 12.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.522 0.729 . . . . 0.0 111.176 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -145.24 76.67 1.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.873 0.869 . . . . 0.0 109.909 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.23 -116.21 4.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.59 -3.76 45.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.074 0.55 . . . . 0.0 110.601 169.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -76.09 158.61 31.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.456 0.646 . . . . 0.0 111.655 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.47 125.57 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.587 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -82.53 114.59 21.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.42 121.0 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.729 0.812 . . . . 0.0 109.075 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.13 134.54 12.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -125.44 136.47 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.11 89.97 2.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.9 158.77 46.93 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 124.645 1.178 . . . . 0.0 109.424 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.85 150.15 87.22 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.72 1.613 . . . . 0.0 110.321 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -68.77 -1.06 6.21 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.05 -23.53 66.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.128 1.371 . . . . 0.0 111.81 168.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.26 159.9 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.057 0.943 . . . . 0.0 110.987 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.12 157.08 16.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.258 0.623 . . . . 0.0 112.321 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.26 124.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 168.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -149.96 156.37 41.61 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.577 0.751 . . . . 0.0 110.969 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -68.5 157.06 36.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 O-C-N 121.921 -0.487 . . . . 0.0 110.445 169.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.36 -36.16 73.05 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.958 0.903 . . . . 0.0 112.893 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.79 -18.84 64.25 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -95.64 -36.85 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.338 1.055 . . . . 0.0 111.069 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -49.44 -42.83 43.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.307 0.643 . . . . 0.0 111.761 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.68 -23.58 64.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.392 1.077 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.15 -42.96 24.96 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.815 0.846 . . . . 0.0 110.873 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 110.224 172.277 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.62 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.287 1.035 . . . . 0.0 109.995 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -134.64 164.98 26.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.831 1.652 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -133.17 99.9 4.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.73 132.93 52.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.367 1.467 . . . . 0.0 112.147 -168.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -80.59 158.96 25.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.786 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -62.47 136.76 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.4 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.14 86.44 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.0 0.809 . . . . 0.0 114.097 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -96.03 169.71 9.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.713 1.256 . . . . 0.0 111.366 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -130.64 159.75 36.27 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -169.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 99.0 mt -135.92 156.15 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 127.108 2.163 . . . . 0.0 107.97 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.84 147.96 48.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.634 -0.666 . . . . 0.0 112.575 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -138.26 137.77 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.588 1.155 . . . . 0.0 109.177 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.32 50.6 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -125.67 7.41 7.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.701 0.801 . . . . 0.0 112.171 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -132.16 -5.83 3.45 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.77 134.91 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.112 0.869 . . . . 0.0 110.86 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -127.2 142.85 51.38 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.819 1.248 . . . . 0.0 109.375 171.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -122.68 141.23 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.015 1.326 . . . . 0.0 107.826 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.4 m -133.41 129.35 37.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.403 0.281 . . . . 0.0 110.271 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.51 106.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.36 -27.74 52.71 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.954 0.502 . . . . 0.0 110.942 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -173.97 35.02 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 123.61 0.624 . . . . 0.0 113.451 169.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -119.58 158.01 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.561 0.744 . . . . 0.0 112.275 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.97 89.99 1.65 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.824 1.249 . . . . 0.0 109.094 168.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -115.11 6.05 Favored Glycine 0 CA--C 1.526 0.734 0 O-C-N 121.62 -0.675 . . . . 0.0 112.043 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -86.68 -21.83 26.45 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 117.777 0.789 . . . . 0.0 111.16 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -76.43 149.43 36.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.2 1.0 . . . . 0.0 110.94 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.13 112.78 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 -169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -86.74 124.36 32.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.01 135.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 122.711 0.404 . . . . 0.0 110.84 -168.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.5 141.93 15.4 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 124.554 1.073 . . . . 0.0 111.39 171.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -128.89 121.94 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.139 1.375 . . . . 0.0 108.238 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -123.64 98.91 6.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 154.66 71.06 Favored Pre-proline 0 N--CA 1.451 -0.383 0 C-N-CA 124.854 1.261 . . . . 0.0 109.008 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -55.95 151.85 39.35 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 121.783 1.655 . . . . 0.0 111.511 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -65.93 -5.93 10.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.085 0.954 . . . . 0.0 111.821 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.8 -30.0 68.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.719 2.007 . . . . 0.0 113.057 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.93 155.15 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.666 0.786 . . . . 0.0 110.297 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 142.28 31.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.6 135.75 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.789 0.436 . . . . 0.0 110.298 169.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -151.89 167.38 28.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.567 0.747 . . . . 0.0 110.322 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -65.68 154.66 38.25 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -61.54 -27.15 68.41 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.782 0.433 . . . . 0.0 111.241 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.63 -41.62 86.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.949 1.3 . . . . 0.0 112.512 171.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -86.97 -34.14 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.556 1.142 . . . . 0.0 109.942 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 N--CA 1.453 -0.321 0 C-N-CA 124.426 1.09 . . . . 0.0 112.347 178.474 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -99.05 147.21 25.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.653 0.381 . . . . 0.0 111.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.82 139.13 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.715 0.806 . . . . 0.0 109.148 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.12 164.82 27.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 109.825 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.18 96.89 4.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -105.01 162.13 13.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.151 1.38 . . . . 0.0 110.786 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -123.51 169.5 11.35 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.51 135.58 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.561 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.09 -10.79 73.18 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.708 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.94 174.4 8.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.305 1.552 . . . . 0.0 112.396 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -137.55 159.75 41.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -134.41 149.42 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 125.985 1.714 . . . . 0.0 108.533 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -114.39 148.01 38.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.989 0.916 . . . . 0.0 111.55 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 76.6 mt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.749 1.22 . . . . 0.0 109.045 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -131.8 50.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.73 10.04 5.52 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.621 0.769 . . . . 0.0 112.79 174.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -130.04 -19.05 3.26 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.82 140.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.095 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -130.42 144.5 51.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.394 1.078 . . . . 0.0 110.473 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -122.23 142.43 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.118 1.767 . . . . 0.0 108.206 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -138.3 136.71 36.71 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.646 0.779 . . . . 0.0 110.432 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -95.56 98.14 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.99 -32.51 72.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.137 -0.352 . . . . 0.0 110.509 -172.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.21 170.23 18.54 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.677 0.656 . . . . 0.0 112.94 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.03 149.38 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.554 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -139.87 89.85 2.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.034 0.934 . . . . 0.0 108.748 168.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.01 -120.11 13.9 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -172.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.03 -17.75 42.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.656 0.782 . . . . 0.0 112.36 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.87 151.26 25.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.704 0.764 . . . . 0.0 110.445 171.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -135.97 119.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -86.65 124.18 32.64 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.47 140.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.272 1.029 . . . . 0.0 109.741 -168.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 143.0 17.95 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.872 0.749 . . . . 0.0 111.243 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.83 139.38 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.52 1.128 . . . . 0.0 109.467 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -129.13 108.08 10.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.426 1.091 . . . . 0.0 109.25 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.74 158.5 75.25 Favored Pre-proline 0 N--CA 1.454 -0.229 0 C-N-CA 124.067 0.947 . . . . 0.0 111.09 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.28 160.03 40.72 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.713 2.275 . . . . 0.0 111.996 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -59.75 -16.68 29.31 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.219 1.008 . . . . 0.0 113.315 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.57 -10.15 59.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.188 1.395 . . . . 0.0 112.193 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -129.07 165.12 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.142 0.977 . . . . 0.0 110.699 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.06 161.14 13.91 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.431 0.692 . . . . 0.0 111.396 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.83 125.33 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.402 0.681 . . . . 0.0 110.519 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -151.99 177.02 10.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.303 1.041 . . . . 0.0 110.167 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -78.62 163.45 25.47 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 168.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.17 -30.53 68.25 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.965 0.506 . . . . 0.0 112.205 -172.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.54 -43.51 79.96 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.114 0.966 . . . . 0.0 111.762 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -90.9 -31.62 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.593 0.757 . . . . 0.0 110.525 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 . . . . . 0 N--CA 1.455 -0.208 0 C-N-CA 124.621 1.168 . . . . 0.0 112.774 176.136 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 109.77 21.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.14 118.91 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.14 129.4 56.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.677 0.751 . . . . 0.0 108.974 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -81.03 141.05 34.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.597 1.159 . . . . 0.0 108.425 171.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' A' ' 12' ' ' ILE . 8.7 tpt180 -128.28 161.32 29.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.423 1.489 . . . . 0.0 109.279 -167.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -139.28 150.01 44.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 168.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.67 124.96 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 122.258 0.223 . . . . 0.0 110.706 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 -5.9 58.39 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.563 1.077 . . . . 0.0 114.764 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.94 159.21 17.76 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.87 1.335 . . . . 0.0 112.185 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -130.59 143.18 50.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.7 mm -117.69 153.7 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 125.338 1.455 . . . . 0.0 109.441 175.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -123.38 136.33 54.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.139 0.975 . . . . 0.0 110.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 mt -129.71 130.47 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.211 1.004 . . . . 0.0 109.771 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.83 -130.4 36.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -124.87 1.08 8.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.297 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -134.45 -19.81 1.87 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.01 132.34 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 119.112 0.869 . . . . 0.0 110.478 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -127.08 143.97 51.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.799 0.839 . . . . 0.0 109.485 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -124.87 142.11 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.408 1.083 . . . . 0.0 108.417 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -135.35 133.8 39.15 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.419 0.688 . . . . 0.0 110.52 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -87.7 98.09 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 172.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -25.94 62.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -174.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.55 -167.96 37.96 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-N 117.794 0.27 . . . . 0.0 113.68 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.23 159.12 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 124.102 0.961 . . . . 0.0 111.305 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 m -138.99 74.7 1.48 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.31 1.044 . . . . 0.0 109.865 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.17 -116.63 5.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.6 -1.8 32.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.452 0.701 . . . . 0.0 111.804 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -98.91 157.11 16.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.697 0.761 . . . . 0.0 111.971 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.21 125.4 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.833 1.653 . . . . 0.0 108.323 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttm105 -111.09 101.88 10.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 110.283 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -110.63 131.09 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.366 1.466 . . . . 0.0 109.581 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.44 134.69 11.89 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 169.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -107.69 127.61 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.948 1.299 . . . . 0.0 108.117 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -114.84 74.99 0.9 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.341 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.84 152.78 40.29 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 114.199 -1.364 . . . . 0.0 110.493 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -72.52 156.59 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.489 2.126 . . . . 0.0 110.51 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -69.59 -0.96 7.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.98 -30.49 71.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.695 0.798 . . . . 0.0 111.117 168.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -118.67 143.97 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.831 0.852 . . . . 0.0 111.396 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.99 28.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.721 0.808 . . . . 0.0 110.656 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.79 129.34 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 122.633 0.373 . . . . 0.0 110.301 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -150.52 -175.99 5.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.102 1.361 . . . . 0.0 109.516 -170.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.49 168.06 18.87 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 172.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.78 -33.82 74.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.213 1.005 . . . . 0.0 112.752 -169.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.62 -26.09 42.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.166 1.387 . . . . 0.0 112.731 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -115.71 -25.67 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.596 1.558 . . . . 0.0 110.819 -174.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.452 -0.326 0 O-C-N 121.328 -0.857 . . . . 0.0 110.466 -169.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.0 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.58 120.48 42.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.71 139.35 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.791 0.437 . . . . 0.0 111.725 -166.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -132.33 139.77 48.28 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.632 1.173 . . . . 0.0 110.266 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.6 m -112.89 100.91 9.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -125.22 152.91 43.93 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.478 0.711 . . . . 0.0 110.901 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -92.62 169.03 10.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -62.27 134.35 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 110.635 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.31 -3.22 75.73 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.508 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -82.35 160.26 22.88 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 119.041 1.42 . . . . 0.0 111.775 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -130.76 147.88 52.48 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.928 0.891 . . . . 0.0 111.548 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 30.1 mt -134.69 156.02 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.686 1.594 . . . . 0.0 109.397 -170.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -139.16 144.09 38.43 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.537 -0.727 . . . . 0.0 112.588 -170.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -133.32 127.92 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.395 1.078 . . . . 0.0 109.701 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.58 50.79 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.09 5.0 7.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.779 0.832 . . . . 0.0 112.913 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -114.99 -20.73 10.39 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.65 135.39 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 119.144 0.884 . . . . 0.0 111.24 -169.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.8 m -134.56 151.01 50.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.786 1.235 . . . . 0.0 110.07 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.69 147.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.271 1.829 . . . . 0.0 108.194 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m -141.2 130.18 23.21 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.786 0.435 . . . . 0.0 110.215 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.39 107.37 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 171.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.15 -31.92 58.81 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.171 -0.33 . . . . 0.0 111.056 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.22 -175.62 36.98 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-O 120.413 -0.104 . . . . 0.0 113.191 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -113.11 153.9 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.332 0.587 . . . . 0.0 111.477 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -137.66 72.83 1.42 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.948 1.299 . . . . 0.0 108.709 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.86 -114.6 4.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.493 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.32 15.5 23.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.566 0.698 . . . . 0.0 111.426 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -98.94 159.75 14.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.968 167.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.1 t -144.36 118.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.881 0.872 . . . . 0.0 108.825 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.26 34.0 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.291 1.037 . . . . 0.0 109.611 -176.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.13 137.07 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 123.544 0.738 . . . . 0.0 111.151 -168.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.56 142.31 16.02 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 123.755 0.693 . . . . 0.0 112.173 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -126.51 131.91 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.082 0.953 . . . . 0.0 109.082 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -133.07 79.83 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.821 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.75 58.96 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.653 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -60.3 153.17 61.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 121.711 1.607 . . . . 0.0 109.341 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -70.1 -0.85 8.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 122.111 0.958 . . . . 0.0 111.997 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.87 -21.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.928 1.691 . . . . 0.0 110.95 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.49 144.08 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.141 1.376 . . . . 0.0 109.527 175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.08 27.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.32 116.01 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.186 0.994 . . . . 0.0 109.683 171.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.52 160.84 41.02 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.777 1.231 . . . . 0.0 110.811 169.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.0 ptt-85 -67.91 156.69 36.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.725 0.41 . . . . 0.0 111.314 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.46 -40.05 74.21 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.81 -18.67 65.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.24 -50.47 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.939 0.896 . . . . 0.0 110.567 172.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.08 -35.85 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.452 1.101 . . . . 0.0 111.874 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -71.6 -20.81 61.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.39 -39.54 32.27 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.482 1.037 . . . . 0.0 110.089 168.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.44 -40.88 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.74 4.98 14.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -19.26 45.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.042 0.537 . . . . 0.0 111.573 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.22 46.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 CA-C-O 119.396 -0.669 . . . . 0.0 114.439 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -175.69 2.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.973 0.886 . . . . 0.0 112.844 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.6 p -126.39 178.41 5.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.373 1.469 . . . . 0.0 109.367 167.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.16 118.64 1.16 Allowed Pre-proline 0 N--CA 1.455 -0.21 0 C-N-CA 124.591 1.156 . . . . 0.0 111.676 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -67.08 173.63 8.14 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.101 1.867 . . . . 0.0 113.96 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 124.322 1.049 . . . . 0.0 112.373 175.074 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.216 -0.421 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.25 111.4 22.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 166.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.75 134.39 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.941 0.896 . . . . 0.0 109.867 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -129.03 135.71 49.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.599 1.16 . . . . 0.0 109.639 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.5 p -94.89 144.3 25.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.404 0.282 . . . . 0.0 110.789 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.1 123.95 12.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.539 0.336 . . . . 0.0 110.828 -173.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -71.8 149.94 44.83 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 124.196 0.998 . . . . 0.0 109.121 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.59 134.48 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 CA-C-N 119.135 0.88 . . . . 0.0 111.604 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 -5.3 82.67 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.524 1.059 . . . . 0.0 114.254 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -89.85 179.58 5.95 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.134 1.467 . . . . 0.0 112.139 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -141.13 160.01 41.01 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -166.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.25 157.36 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 127.859 2.464 . . . . 0.0 108.256 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -132.31 148.77 52.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.766 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -133.41 133.39 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.343 1.057 . . . . 0.0 108.913 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.42 -138.42 43.61 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.45 9.95 9.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.979 0.912 . . . . 0.0 111.952 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -118.04 -17.25 9.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.344 1.058 . . . . 0.0 113.143 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.77 140.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.41 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -129.83 139.66 51.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.965 1.306 . . . . 0.0 109.249 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.99 137.11 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.49 1.116 . . . . 0.0 108.442 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -131.83 130.44 41.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.619 0.368 . . . . 0.0 110.24 -175.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -84.21 116.65 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 169.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.59 -34.52 13.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.69 178.08 38.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 113.846 0.298 . . . . 0.0 113.846 168.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.08 149.13 14.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 C-N-CA 123.628 0.771 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -144.44 98.91 3.28 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.836 1.254 . . . . 0.0 108.696 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -131.22 22.18 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -169.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.1 0.62 57.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.886 0.874 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 153.83 20.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.048 0.939 . . . . 0.0 110.565 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.02 121.0 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.067 0.947 . . . . 0.0 108.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -78.43 114.76 17.62 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -122.02 127.79 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.642 1.177 . . . . 0.0 109.476 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.6 135.44 12.36 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 123.782 0.706 . . . . 0.0 111.778 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -119.09 117.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.13 0.972 . . . . 0.0 108.639 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -115.66 94.71 4.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.206 0.603 . . . . 0.0 110.073 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.79 78.61 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.364 1.066 . . . . 0.0 109.905 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -62.65 154.01 68.1 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.596 2.198 . . . . 0.0 111.286 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.73 -1.03 3.34 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.339 0.656 . . . . 0.0 112.499 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.9 -22.19 66.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.01 148.04 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.099 0.96 . . . . 0.0 110.74 175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.99 156.98 20.9 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.732 0.413 . . . . 0.0 111.231 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.26 133.75 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.127 0.571 . . . . 0.0 109.641 169.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -154.29 166.06 34.37 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 123.47 0.708 . . . . 0.0 111.487 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -82.46 160.99 22.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -32.95 71.46 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.32 -45.6 87.76 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.712 0.805 . . . . 0.0 111.662 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.04 -30.5 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.247 0.619 . . . . 0.0 110.589 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -51.64 -38.73 56.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.671 0.789 . . . . 0.0 111.975 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.98 -28.03 67.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.659 0.784 . . . . 0.0 112.59 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -73.05 -40.58 64.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.22 0.608 . . . . 0.0 111.687 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.456 -0.162 0 O-C-N 121.858 -0.526 . . . . 0.0 110.005 175.332 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.19 109.92 19.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.07 128.14 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.214 1.006 . . . . 0.0 108.74 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.3 mt -112.04 168.14 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.106 0.962 . . . . 0.0 110.047 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.17 109.68 12.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.3 130.81 57.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.997 -0.44 . . . . 0.0 111.178 -168.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -73.22 152.24 41.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.746 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.87 137.97 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.343 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.83 -3.28 87.12 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.388 0.994 . . . . 0.0 114.115 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -91.23 171.29 9.34 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.099 1.449 . . . . 0.0 112.009 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -129.58 156.72 43.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.482 0.713 . . . . 0.0 112.872 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.92 160.81 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 126.713 2.005 . . . . 0.0 108.85 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -139.57 149.42 43.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.058 0.943 . . . . 0.0 112.053 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.16 138.44 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.833 1.253 . . . . 0.0 109.053 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.41 -136.27 50.82 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -127.53 10.0 6.63 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 112.551 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -128.5 -12.82 4.93 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.49 137.89 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.055 0.843 . . . . 0.0 111.146 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 64.1 m -123.43 150.22 44.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.678 1.191 . . . . 0.0 109.722 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -133.67 147.24 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.904 1.681 . . . . 0.0 107.64 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -141.65 131.87 24.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.581 -0.699 . . . . 0.0 109.679 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -88.03 99.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.47 -30.91 63.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.875 0.47 . . . . 0.0 110.958 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.03 -172.28 39.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.26 158.51 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 121.217 0.532 . . . . 0.0 110.906 169.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 23.4 t -142.76 78.72 1.62 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.85 1.26 . . . . 0.0 108.273 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.43 -115.34 5.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.426 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mp0 -91.55 -14.67 29.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.167 0.987 . . . . 0.0 110.941 175.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -79.46 149.33 31.59 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.797 0.808 . . . . 0.0 110.869 170.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.97 127.17 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttm-85 -93.17 109.87 21.37 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.87 127.7 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.588 0.755 . . . . 0.0 109.922 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 135.8 12.43 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 123.968 0.794 . . . . 0.0 111.12 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.15 140.03 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.411 1.085 . . . . 0.0 108.792 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.11 89.91 2.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.42 0.688 . . . . 0.0 109.685 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.52 156.67 58.04 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 124.346 1.058 . . . . 0.0 109.874 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -61.34 150.64 84.0 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.156 1.904 . . . . 0.0 110.732 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.51 -1.31 6.37 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.05 -23.26 66.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.891 1.277 . . . . 0.0 111.529 168.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.03 159.23 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.12 157.1 16.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.309 0.643 . . . . 0.0 112.2 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.43 127.04 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.926 0.491 . . . . 0.0 110.054 168.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -150.22 166.65 29.26 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.759 0.824 . . . . 0.0 111.506 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -63.96 157.81 24.01 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 168.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.4 -34.32 77.47 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.446 -0.784 . . . . 0.0 111.682 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.83 -26.32 66.86 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 112.529 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.7 -43.96 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.797 0.839 . . . . 0.0 110.636 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.49 -38.81 14.58 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.84 1.256 . . . . 0.0 112.082 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.51 -21.05 62.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.341 1.057 . . . . 0.0 113.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -44.28 25.14 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.441 1.096 . . . . 0.0 110.223 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 125.278 1.431 . . . . 0.0 110.155 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.75 -0.093 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.38 131.72 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.59 0.756 . . . . 0.0 109.056 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -126.71 164.96 20.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.495 1.518 . . . . 0.0 110.668 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.58 104.29 6.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 167.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.94 124.68 53.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.61 1.564 . . . . 0.0 109.838 -171.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -90.64 165.73 13.56 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.764 1.165 . . . . 0.0 112.535 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.72 135.69 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.768 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.49 82.11 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.14 0.876 . . . . 0.0 114.104 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -95.38 167.17 11.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.56 1.18 . . . . 0.0 111.423 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -131.51 166.12 22.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -168.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -150.45 155.69 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.772 2.429 . . . . 0.0 108.222 -167.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -136.41 150.88 48.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.9 mt -136.87 137.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.795 1.238 . . . . 0.0 108.903 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -141.19 46.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -117.15 2.89 12.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.932 0.893 . . . . 0.0 112.026 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.07 -7.09 2.69 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.31 135.93 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.994 0.815 . . . . 0.0 110.841 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -125.98 142.29 51.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 109.865 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.27 140.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.983 1.313 . . . . 0.0 108.413 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -138.11 130.57 29.22 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.117 0.567 . . . . 0.0 109.987 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -82.79 106.89 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.45 -31.08 53.58 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.895 -0.503 . . . . 0.0 111.008 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.31 -175.48 35.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 113.838 0.295 . . . . 0.0 113.838 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.83 158.58 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.85 0.86 . . . . 0.0 112.065 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -150.02 89.97 1.64 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.846 1.258 . . . . 0.0 108.939 169.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.45 -113.48 5.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -174.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.7 -20.59 21.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.557 0.678 . . . . 0.0 111.591 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -74.9 142.19 44.07 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.167 0.508 . . . . 0.0 110.084 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.28 117.98 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -87.86 125.32 34.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.68 132.32 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.732 0.813 . . . . 0.0 110.352 -168.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.33 141.43 15.25 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.347 0.975 . . . . 0.0 111.72 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -135.17 124.32 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.899 1.28 . . . . 0.0 108.929 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -125.29 99.73 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -173.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.75 155.34 78.14 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.489 1.116 . . . . 0.0 110.433 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.2 158.22 40.82 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.857 2.371 . . . . 0.0 112.183 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.59 -1.0 12.02 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.473 0.709 . . . . 0.0 112.702 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -23.16 66.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.814 1.246 . . . . 0.0 111.947 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.8 159.21 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.898 0.879 . . . . 0.0 110.925 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.03 16.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.035 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.881 0.472 . . . . 0.0 110.335 169.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -152.31 171.23 18.32 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.386 1.074 . . . . 0.0 110.243 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -83.77 163.96 19.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 168.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.57 66.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.3 -46.01 83.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.769 0.827 . . . . 0.0 110.602 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -82.33 -39.04 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.562 0.745 . . . . 0.0 109.91 -174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 124.105 0.962 . . . . 0.0 112.078 178.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mt -95.29 148.4 22.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.978 -0.451 . . . . 0.0 111.53 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.46 135.52 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.751 0.82 . . . . 0.0 108.834 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -128.95 161.36 30.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.697 1.199 . . . . 0.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.98 97.14 4.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 168.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -106.18 149.29 26.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.496 1.118 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -96.39 168.84 10.32 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.63 141.14 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 0.0 112.298 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.76 83.33 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.079 0.847 . . . . 0.0 113.788 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -91.74 174.6 7.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.74 1.27 . . . . 0.0 112.587 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -132.69 160.49 36.6 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.685 0.794 . . . . 0.0 112.807 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -141.12 157.01 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.253 1.821 . . . . 0.0 108.241 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -134.18 143.47 47.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.647 0.779 . . . . 0.0 111.538 -169.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.68 140.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.464 1.106 . . . . 0.0 109.318 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.25 -139.06 48.97 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.48 4.86 11.74 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 172.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -136.46 -13.88 1.74 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.17 135.52 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 119.063 0.847 . . . . 0.0 110.418 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -129.64 141.23 50.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.786 0.835 . . . . 0.0 110.386 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -117.33 142.0 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 C-N-CA 125.855 1.662 . . . . 0.0 108.141 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -134.21 128.18 33.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.311 0.644 . . . . 0.0 109.653 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -84.22 108.78 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.59 -24.51 36.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.483 0.713 . . . . 0.0 111.068 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.58 -170.88 32.38 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.101 0.381 . . . . 0.0 113.878 168.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.95 155.43 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.74 0.816 . . . . 0.0 111.973 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -142.16 89.94 2.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.792 1.237 . . . . 0.0 108.849 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.95 -106.78 1.76 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -93.1 -20.81 20.15 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 117.358 0.579 . . . . 0.0 111.808 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -73.04 139.33 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 122.894 0.478 . . . . 0.0 110.11 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.8 t -130.64 113.68 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -88.15 118.54 27.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.255 1.022 . . . . 0.0 109.234 -174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.86 133.47 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.652 0.781 . . . . 0.0 110.374 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.89 142.04 15.4 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.222 0.915 . . . . 0.0 111.283 171.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -130.09 131.08 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.437 1.095 . . . . 0.0 109.458 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -126.3 106.63 9.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.216 1.007 . . . . 0.0 109.234 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.22 158.28 76.0 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 111.336 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.58 161.81 33.81 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.968 2.445 . . . . 0.0 112.341 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.01 -11.66 59.33 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.635 0.774 . . . . 0.0 112.659 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.96 -20.51 66.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.083 1.353 . . . . 0.0 112.594 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -126.89 164.28 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.769 0.828 . . . . 0.0 111.299 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.64 162.84 13.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.135 0.574 . . . . 0.0 111.661 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.01 123.99 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.508 0.723 . . . . 0.0 109.885 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -153.41 173.58 15.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.181 0.992 . . . . 0.0 110.124 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -76.68 158.66 30.85 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 167.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.26 -21.22 66.71 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.71 -46.18 77.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.588 0.755 . . . . 0.0 111.587 171.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.1 -31.63 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.743 0.817 . . . . 0.0 110.203 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 174.624 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.06 109.54 22.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.702 0.801 . . . . 0.0 109.198 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.86 136.62 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.006 0.922 . . . . 0.0 109.152 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.97 154.85 50.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.207 1.003 . . . . 0.0 109.745 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -115.66 100.92 8.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.08 133.2 54.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.47 0.708 . . . . 0.0 110.452 -168.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.66 154.32 18.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.768 0.427 . . . . 0.0 109.863 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.97 124.36 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 122.88 0.472 . . . . 0.0 111.004 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.41 -5.87 60.91 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.849 1.214 . . . . 0.0 114.44 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -96.97 169.05 10.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.796 1.298 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -135.92 150.1 49.19 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -168.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 5.9 mm -106.68 158.41 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 125.876 1.67 . . . . 0.0 109.67 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -130.71 138.97 50.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.615 1.166 . . . . 0.0 110.13 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.7 mt -132.9 130.5 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.17 0.988 . . . . 0.0 109.55 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.53 -126.1 27.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.96 3.62 4.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.641 0.777 . . . . 0.0 112.358 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -136.77 -20.17 1.32 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.96 136.33 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.858 0.754 . . . . 0.0 110.221 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -130.8 141.66 50.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.765 0.826 . . . . 0.0 109.418 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.32 141.86 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.63 1.172 . . . . 0.0 108.147 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -135.84 132.95 37.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.635 0.652 . . . . 0.0 110.324 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.39 101.11 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.29 -28.8 61.35 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.026 -0.421 . . . . 0.0 110.115 -175.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -169.26 38.81 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 122.938 0.304 . . . . 0.0 113.399 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.28 153.25 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.696 0.798 . . . . 0.0 111.519 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -138.38 60.96 1.6 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.878 1.271 . . . . 0.0 109.681 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.74 -123.52 6.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -76.95 -18.45 58.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.418 0.609 . . . . 0.0 112.222 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.8 pt20 -98.77 149.74 22.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.36 1.076 . . . . 0.0 112.053 174.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.14 126.38 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.841 1.657 . . . . 0.0 108.961 -168.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -90.94 101.99 14.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.853 0.861 . . . . 0.0 109.667 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -110.08 133.77 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.472 1.109 . . . . 0.0 109.677 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.92 140.9 15.78 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.974 0.797 . . . . 0.0 111.682 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -114.41 136.18 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 125.48 1.512 . . . . 0.0 108.325 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.29 74.96 1.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.005 . . . . 0.0 109.233 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.04 154.4 39.57 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 125.247 1.419 . . . . 0.0 110.7 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.03 153.14 57.68 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.581 2.187 . . . . 0.0 110.35 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -68.95 -3.84 14.39 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -69.28 -25.48 64.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.939 0.896 . . . . 0.0 112.073 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -115.62 144.02 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.875 0.845 . . . . 0.0 111.693 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.52 143.0 28.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.133 0.973 . . . . 0.0 110.749 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 128.57 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.581 0.352 . . . . 0.0 110.387 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -152.41 172.91 15.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.212 1.005 . . . . 0.0 110.567 -170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 163.14 12.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.912 -0.493 . . . . 0.0 110.962 176.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -64.1 -37.32 87.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -75.35 -3.11 31.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -115.73 -31.29 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 111.057 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.0 t80 . . . . . 0 N--CA 1.45 -0.438 0 O-C-N 121.362 -0.836 . . . . 0.0 110.677 -170.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -116.6 121.18 40.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.835 1.654 . . . . 0.0 107.603 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.01 142.58 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -164.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -144.74 143.88 30.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.734 1.213 . . . . 0.0 111.307 -171.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 134.27 34.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 166.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -132.9 118.77 19.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.067 0.547 . . . . 0.0 110.163 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 38.6 ttpt -87.06 149.44 24.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -55.19 130.69 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.756 -168.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.19 56.27 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.135 0.874 . . . . 0.0 114.805 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.98 164.49 13.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.798 1.299 . . . . 0.0 111.659 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -130.41 159.95 35.49 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -141.22 155.42 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.546 1.938 . . . . 0.0 109.306 -172.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -134.77 140.95 46.3 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.737 0.815 . . . . 0.0 111.613 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.7 129.73 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 124.353 1.061 . . . . 0.0 109.327 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -135.56 51.78 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -122.85 3.37 9.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.692 0.797 . . . . 0.0 112.22 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -120.48 -17.73 8.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.629 0.771 . . . . 0.0 112.975 -172.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.65 136.53 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.782 0.719 . . . . 0.0 110.786 -171.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -132.85 149.33 52.27 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.737 1.215 . . . . 0.0 109.927 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -128.79 144.51 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 126.029 1.732 . . . . 0.0 108.174 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -138.02 132.87 32.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 122.809 0.444 . . . . 0.0 110.502 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.94 100.15 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.68 -32.67 68.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.582 -0.699 . . . . 0.0 111.101 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.53 178.84 36.72 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 122.702 0.192 . . . . 0.0 112.849 173.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.43 147.84 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -131.43 71.18 1.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 0.0 108.686 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 -112.54 3.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.47 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.58 13.19 25.45 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 111.711 170.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.01 156.25 17.02 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.319 1.047 . . . . 0.0 109.093 167.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.0 t -137.58 119.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.88 120.85 29.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.282 1.033 . . . . 0.0 109.789 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.71 133.72 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.324 1.05 . . . . 0.0 109.823 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 138.93 14.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -121.1 132.33 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.839 0.828 . . . . 0.0 109.541 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -133.0 75.91 1.65 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.666 -168.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.1 157.41 55.44 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.605 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -60.29 155.53 45.68 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 121.695 1.597 . . . . 0.0 109.786 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.902 0.881 . . . . 0.0 111.669 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.84 -23.96 66.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.997 1.719 . . . . 0.0 111.087 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.23 144.09 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.63 1.172 . . . . 0.0 109.828 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.54 142.03 29.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.461 0.648 . . . . 0.0 111.185 171.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 t -142.2 96.53 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.019 -166.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.08 159.38 43.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.781 0.433 . . . . 0.0 111.895 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.5 ptt-85 -66.4 159.98 25.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.037 0.535 . . . . 0.0 111.899 170.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.56 -39.54 76.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.171 0.588 . . . . 0.0 112.267 -173.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.97 -2.17 11.8 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -105.56 -51.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.143 0.977 . . . . 0.0 109.762 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -50.11 -37.52 34.43 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.968 1.307 . . . . 0.0 112.058 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.47 -21.81 62.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.7 -42.73 27.65 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.966 0.803 . . . . 0.0 110.138 169.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -38.5 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 123.315 0.646 . . . . 0.0 109.355 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -81.33 4.0 22.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.49 -18.72 44.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.282 0.633 . . . . 0.0 111.816 169.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.63 49.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.664 0 C-N-CA 123.411 0.529 . . . . 0.0 113.968 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -177.2 2.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 117.535 0.668 . . . . 0.0 112.468 -168.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 37.9 p -127.55 -175.67 3.53 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.142 1.377 . . . . 0.0 109.644 168.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 123.88 2.8 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 124.023 0.929 . . . . 0.0 111.27 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.92 168.48 7.17 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.855 2.37 . . . . 0.0 114.294 -169.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.971 1.308 . . . . 0.0 113.096 -178.475 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpp . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 110.07 19.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 167.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.06 133.54 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.156 0.983 . . . . 0.0 109.663 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.63 134.98 46.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.316 1.046 . . . . 0.0 109.686 171.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.3 p -106.97 140.67 39.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.529 0.332 . . . . 0.0 111.076 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.536 ' HE ' ' CG2' ' C' ' 22' ' ' ILE 0.275 0.0 OUTLIER -146.17 161.3 40.51 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.737 165.511 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.9 tptm -74.84 156.25 36.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.986 1.714 . . . . 0.0 109.861 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -57.97 138.98 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 118.856 0.753 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -4.98 82.57 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.708 1.147 . . . . 0.0 114.507 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.02 177.62 6.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.97 1.385 . . . . 0.0 112.971 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -139.25 156.84 46.79 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.36 1.064 . . . . 0.0 113.096 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.4 ' CD1' ' HD3' ' C' ' 6' ' ' ARG . 9.7 mt -146.35 151.48 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 126.874 2.07 . . . . 0.0 108.708 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -117.2 148.13 41.88 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.185 0.994 . . . . 0.0 111.517 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -130.94 127.79 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.68 1.192 . . . . 0.0 108.658 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.8 -134.38 51.88 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.256 -1.137 . . . . 0.0 110.256 -169.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.58 7.2 6.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.714 0.806 . . . . 0.0 111.782 168.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -111.42 -19.95 12.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.336 1.054 . . . . 0.0 112.94 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.38 139.13 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.461 0.705 . . . . 0.0 110.814 -170.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -129.37 141.37 51.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.366 1.066 . . . . 0.0 109.741 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -119.67 139.57 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.271 1.428 . . . . 0.0 108.507 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -135.83 130.19 33.57 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.886 0.474 . . . . 0.0 110.156 -174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.536 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.4 tp -85.38 122.58 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.15 -37.59 10.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.82 -173.24 43.39 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.48 -0.39 . . . . 0.0 113.877 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.31 152.24 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 C-N-CA 123.525 0.73 . . . . 0.0 110.896 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.21 93.08 2.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.008 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -126.05 10.82 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.1 -0.18 57.11 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.919 0.887 . . . . 0.0 112.139 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.84 153.23 22.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.51 0.724 . . . . 0.0 110.901 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.12 125.41 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 107.799 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -88.7 117.32 27.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -120.28 130.84 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.189 1.396 . . . . 0.0 109.032 -175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.97 139.63 14.56 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.956 0.789 . . . . 0.0 111.427 172.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -124.88 123.8 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.355 1.062 . . . . 0.0 108.497 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -121.78 92.39 3.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.374 0.669 . . . . 0.0 109.604 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.53 156.67 76.82 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.474 1.109 . . . . 0.0 109.684 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.44 150.82 83.39 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.361 2.04 . . . . 0.0 110.767 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -66.11 -0.95 2.74 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.515 0.726 . . . . 0.0 112.456 172.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.9 -23.99 66.75 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.505 1.122 . . . . 0.0 111.443 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -121.29 148.83 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.116 0.966 . . . . 0.0 110.546 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 156.95 20.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.514 0.325 . . . . 0.0 111.326 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.11 130.86 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 123.118 0.567 . . . . 0.0 109.532 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -155.91 165.38 36.66 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.308 0.643 . . . . 0.0 111.707 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -83.44 161.97 21.14 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.31 -37.03 79.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -168.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.77 -19.89 62.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mm -95.67 -35.59 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.545 0.738 . . . . 0.0 110.69 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -51.81 -36.8 49.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.287 1.035 . . . . 0.0 112.375 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.91 -28.53 66.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.817 0.847 . . . . 0.0 112.634 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -68.65 -39.08 80.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.346 0.658 . . . . 0.0 111.776 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.069 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.76 117.03 33.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.01 0.924 . . . . 0.0 109.314 170.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -101.21 137.87 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.82 142.56 30.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.025 1.33 . . . . 0.0 108.768 -169.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.61 121.08 44.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -131.16 127.92 39.0 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.486 -0.292 . . . . 0.0 110.924 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.29 154.31 41.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.358 0.526 . . . . 0.0 110.367 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.64 135.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.191 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.84 -2.55 82.27 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.476 1.036 . . . . 0.0 114.214 178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -95.79 171.04 8.9 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.005 1.403 . . . . 0.0 112.001 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -128.38 156.6 42.87 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -168.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -141.48 160.24 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 127.566 2.346 . . . . 0.0 108.8 -173.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -140.99 150.72 43.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.14 138.71 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.76 1.224 . . . . 0.0 109.126 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.03 -137.55 50.35 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.35 7.96 9.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.176 0.99 . . . . 0.0 111.761 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -133.88 -11.71 2.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.17 138.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 118.777 0.717 . . . . 0.0 110.802 -171.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -122.53 146.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.506 1.123 . . . . 0.0 109.689 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.98 143.78 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.77 1.628 . . . . 0.0 107.64 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -142.15 132.16 24.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.666 -0.646 . . . . 0.0 110.099 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -87.65 93.57 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.19 -31.99 70.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.088 0.555 . . . . 0.0 111.116 -169.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -172.11 42.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 121.424 0.458 . . . . 0.0 112.913 170.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 132.63 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.17 1.388 . . . . 0.0 109.804 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -141.09 88.94 2.2 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.035 0.934 . . . . 0.0 109.568 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -121.9 10.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.437 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -97.09 -12.01 23.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.655 0.782 . . . . 0.0 110.889 174.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -74.37 145.13 44.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 169.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.64 132.45 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -100.63 111.24 23.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.073 1.349 . . . . 0.0 108.657 -169.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.421 HG13 HH12 ' C' ' 6' ' ' ARG . 2.1 mt -125.45 128.15 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.073 -168.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.34 138.61 14.19 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.71 139.74 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.264 1.026 . . . . 0.0 108.343 172.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.04 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.67 156.08 59.12 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.622 1.169 . . . . 0.0 109.639 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -61.04 150.14 85.64 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.002 1.801 . . . . 0.0 110.57 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.69 -1.17 6.33 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.01 -23.18 66.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.736 1.215 . . . . 0.0 111.401 168.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.11 160.01 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.187 0.995 . . . . 0.0 110.726 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 157.11 16.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.532 0.733 . . . . 0.0 112.183 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.45 122.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 O-C-N 121.874 -0.516 . . . . 0.0 110.311 168.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -148.73 157.05 43.17 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -64.0 160.26 18.29 Favored 'General case' 0 C--O 1.227 -0.102 0 O-C-N 121.788 -0.57 . . . . 0.0 110.731 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.26 -34.31 76.29 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.325 0.512 . . . . 0.0 111.819 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.32 -51.53 66.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 111.29 170.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -72.59 -40.48 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.256 1.022 . . . . 0.0 110.205 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.9 -39.04 62.42 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.479 1.512 . . . . 0.0 111.9 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.97 -22.93 63.15 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.36 1.064 . . . . 0.0 112.966 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.62 -41.49 45.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.623 0.769 . . . . 0.0 110.566 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 C--N 1.334 -0.106 0 C-N-CA 125.286 1.434 . . . . 0.0 109.934 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.39 138.07 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.302 1.041 . . . . 0.0 109.728 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -134.22 165.04 26.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.849 1.66 . . . . 0.0 110.817 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.68 98.22 4.27 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 168.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.01 131.18 52.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.623 1.569 . . . . 0.0 111.757 -168.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -81.43 157.66 24.87 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.61 0.243 . . . . 0.0 111.624 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -60.72 136.41 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.042 0.448 . . . . 0.0 111.533 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.09 -3.27 84.4 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.13 0.872 . . . . 0.0 114.241 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -94.26 167.15 11.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.734 1.267 . . . . 0.0 111.5 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -129.64 159.51 36.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -137.9 157.77 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.798 2.039 . . . . 0.0 108.186 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -136.52 148.7 47.75 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.432 -0.793 . . . . 0.0 112.829 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -137.5 138.44 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.669 1.188 . . . . 0.0 109.151 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.82 -136.75 50.95 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.29 10.03 6.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.819 0.848 . . . . 0.0 112.489 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.86 -11.59 4.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.2 136.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 119.212 0.915 . . . . 0.0 111.197 -169.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -127.43 143.18 51.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -123.61 143.77 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.304 1.441 . . . . 0.0 108.026 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -138.94 128.47 24.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.785 0.434 . . . . 0.0 109.9 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.2 105.95 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 169.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.86 -33.44 60.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.763 -0.586 . . . . 0.0 110.441 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -178.23 37.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 113.872 0.309 . . . . 0.0 113.872 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.1 151.51 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.688 0.795 . . . . 0.0 111.789 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -141.77 89.85 2.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.913 1.285 . . . . 0.0 108.815 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -112.43 5.0 Favored Glycine 0 CA--C 1.526 0.754 0 O-C-N 121.763 -0.585 . . . . 0.0 111.921 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -89.88 -25.68 20.86 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.58 0.69 . . . . 0.0 111.666 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -72.9 147.29 45.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.234 0.614 . . . . 0.0 110.048 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.81 120.65 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -82.23 114.46 20.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.34 0.656 . . . . 0.0 109.471 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.74 124.51 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.706 0.802 . . . . 0.0 110.001 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.55 140.76 15.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.297 0.951 . . . . 0.0 111.418 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -133.89 127.95 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 109.064 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -131.17 98.98 4.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 156.22 75.94 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.767 1.227 . . . . 0.0 110.018 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.36 157.85 33.92 Favored 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 122.613 2.208 . . . . 0.0 111.849 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -67.73 -0.99 4.58 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.49 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.96 -24.92 67.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.077 1.351 . . . . 0.0 111.909 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.71 155.11 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.118 0.967 . . . . 0.0 110.84 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.34 155.1 20.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.408 170.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.27 125.83 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.795 0.438 . . . . 0.0 110.394 169.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -152.03 169.18 22.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.343 1.057 . . . . 0.0 110.039 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 30.8 ptt-85 -76.56 164.47 25.91 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.626 -0.671 . . . . 0.0 110.301 169.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.13 -27.57 68.49 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.88 0.472 . . . . 0.0 112.148 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.5 -43.04 93.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.342 1.057 . . . . 0.0 112.374 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -86.56 -33.34 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.849 0.86 . . . . 0.0 110.279 -171.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.454 -0.256 0 C-N-CA 124.242 1.017 . . . . 0.0 112.483 178.35 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.099 0.037 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.91 150.79 20.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.678 0.391 . . . . 0.0 111.35 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.26 121.57 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.51 153.14 25.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.884 1.674 . . . . 0.0 108.98 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 104.67 10.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 168.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.69 127.54 55.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.95 1.3 . . . . 0.0 110.19 -169.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.8 164.99 13.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 119.46 1.027 . . . . 0.0 112.705 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -59.25 136.33 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.091 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.57 -4.78 76.67 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.25 0.929 . . . . 0.0 114.173 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -97.55 169.51 9.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.72 1.26 . . . . 0.0 111.745 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -133.77 158.13 44.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -169.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 50.4 mt -136.93 150.37 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 126.065 1.746 . . . . 0.0 108.819 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -122.52 148.83 44.71 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.548 0.739 . . . . 0.0 111.808 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -135.64 137.52 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.736 1.214 . . . . 0.0 109.233 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.94 -136.24 50.11 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -120.26 3.09 10.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.758 0.823 . . . . 0.0 112.335 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.91 -13.83 1.42 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.52 134.63 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 119.122 0.873 . . . . 0.0 110.462 -174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -128.65 142.07 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.916 0.886 . . . . 0.0 110.373 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -121.18 143.15 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.954 1.702 . . . . 0.0 108.091 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 44.0 m -137.11 130.38 31.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.094 0.558 . . . . 0.0 109.907 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.37 109.29 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.53 -27.77 34.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.142 0.577 . . . . 0.0 111.116 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.67 -175.37 35.0 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 123.3 0.476 . . . . 0.0 113.157 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.08 153.68 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.363 0.665 . . . . 0.0 111.415 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -146.38 89.84 1.89 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.368 1.067 . . . . 0.0 108.721 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.61 -121.98 28.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -171.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.86 -22.01 40.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.3 145.21 39.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.442 0.639 . . . . 0.0 110.494 175.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.23 118.94 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -85.94 127.17 34.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.37 140.64 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.902 0.881 . . . . 0.0 109.925 -169.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 142.1 17.23 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.244 0.926 . . . . 0.0 111.328 174.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.49 135.66 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 124.279 1.032 . . . . 0.0 109.554 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -129.02 109.52 11.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 109.208 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.5 157.67 76.84 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.74 0.816 . . . . 0.0 111.285 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.15 160.44 41.95 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.957 2.438 . . . . 0.0 112.318 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -64.14 -12.3 38.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.72 -15.41 61.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.798 1.239 . . . . 0.0 112.587 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.56 163.99 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.888 0.875 . . . . 0.0 111.029 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 161.49 13.77 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.244 0.618 . . . . 0.0 111.462 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -154.96 125.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.485 0.714 . . . . 0.0 110.17 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -152.92 173.71 15.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.194 0.998 . . . . 0.0 109.919 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.88 163.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.725 -0.609 . . . . 0.0 109.925 168.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.87 -29.78 69.74 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.776 0.43 . . . . 0.0 112.113 -171.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.39 -44.54 76.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.089 0.955 . . . . 0.0 111.67 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -89.65 -30.75 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.551 0.741 . . . . 0.0 110.378 -170.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.184 0.994 . . . . 0.0 112.644 175.839 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 111.36 23.52 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.518 0.727 . . . . 0.0 109.437 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.59 133.3 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.507 0.723 . . . . 0.0 109.778 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -132.59 162.27 31.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.456 1.102 . . . . 0.0 109.761 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 129.06 47.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -175.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -126.64 165.63 18.84 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.763 0.825 . . . . 0.0 109.931 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -129.09 158.41 39.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -51.16 120.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.545 0.212 . . . . 0.0 110.826 -173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.93 -5.47 56.43 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.466 1.031 . . . . 0.0 114.53 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -93.18 170.21 9.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.84 1.32 . . . . 0.0 112.151 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -141.02 157.16 45.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 18.0 mm -119.19 155.46 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.248 1.819 . . . . 0.0 109.437 169.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -126.71 139.81 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.4 1.08 . . . . 0.0 110.617 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.49 132.72 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.162 0.985 . . . . 0.0 109.707 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.17 27.52 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.46 -3.91 6.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.941 0.896 . . . . 0.0 112.426 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -134.26 -18.7 1.99 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.3 mt -104.26 138.57 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.692 0.678 . . . . 0.0 110.501 -169.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -137.0 147.33 46.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.861 0.864 . . . . 0.0 109.499 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.88 144.08 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.633 1.173 . . . . 0.0 108.413 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -139.7 137.13 34.92 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.47 0.577 . . . . 0.0 110.551 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.97 103.5 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.81 -28.03 50.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.143 -0.348 . . . . 0.0 110.544 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 -178.83 42.72 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 117.921 0.328 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 152.16 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.367 1.067 . . . . 0.0 110.985 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -142.62 60.99 1.43 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.576 1.15 . . . . 0.0 110.192 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -121.67 5.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.15 -17.0 53.68 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.201 0.6 . . . . 0.0 111.673 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.99 154.14 18.31 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 171.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -133.5 140.96 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.397 1.879 . . . . 0.0 108.895 -169.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -107.92 104.58 14.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.933 0.893 . . . . 0.0 110.22 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.4 mt -113.06 133.54 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.907 1.283 . . . . 0.0 109.909 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.99 141.85 16.01 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 123.899 0.761 . . . . 0.0 112.018 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.05 138.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.464 1.506 . . . . 0.0 108.432 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -127.01 75.05 1.55 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.408 1.083 . . . . 0.0 109.186 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.87 153.84 42.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.123 1.369 . . . . 0.0 110.667 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.39 155.96 55.05 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.455 2.103 . . . . 0.0 110.6 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.14 -1.31 7.45 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.9 -31.05 71.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.937 0.895 . . . . 0.0 111.245 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.4 144.01 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.844 0.83 . . . . 0.0 111.4 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.53 143.06 27.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.727 0.811 . . . . 0.0 110.704 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.71 130.71 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.582 0.353 . . . . 0.0 110.085 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.9 163.91 35.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.853 0.861 . . . . 0.0 110.87 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 162.95 21.86 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.537 171.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.47 -36.72 84.71 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 119.292 0.951 . . . . 0.0 111.817 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -64.97 -10.14 27.01 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.724 1.21 . . . . 0.0 113.804 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.5 -9.01 8.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 124.704 1.202 . . . . 0.0 111.149 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.45 -0.432 0 O-C-N 120.328 -1.483 . . . . 0.0 110.664 175.519 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.463 -0.303 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.92 120.11 40.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 168.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.04 140.42 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.797 -166.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -135.69 144.49 45.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.561 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -102.25 130.77 49.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -139.08 124.7 19.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.025 0.53 . . . . 0.0 110.985 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -80.68 151.08 29.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.298 172.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 21.1 m -55.53 129.28 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.164 0.507 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.31 60.12 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 124.0 0.809 . . . . 0.0 114.885 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -91.75 160.77 15.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.894 1.347 . . . . 0.0 111.218 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.75 161.11 29.74 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -169.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -143.88 158.64 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.65 1.98 . . . . 0.0 108.972 -171.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -141.02 144.46 35.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.755 0.822 . . . . 0.0 111.927 -170.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -134.78 129.03 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.487 1.115 . . . . 0.0 109.66 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -135.74 51.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -125.28 5.06 7.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.878 0.871 . . . . 0.0 112.753 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -115.14 -22.66 9.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.74 136.54 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 119.009 0.822 . . . . 0.0 111.393 -169.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -132.18 149.19 52.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.874 1.27 . . . . 0.0 109.889 171.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -130.5 145.27 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 126.129 1.771 . . . . 0.0 108.325 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -138.57 134.44 33.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.837 0.455 . . . . 0.0 110.468 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.79 97.53 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.83 -34.26 76.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.55 -0.719 . . . . 0.0 111.253 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 165.98 -176.55 41.34 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 122.156 -0.068 . . . . 0.0 113.22 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.89 153.6 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.004 0.522 . . . . 0.0 110.615 173.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -135.9 76.44 1.61 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 108.945 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -117.77 4.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.48 9.48 43.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.015 0.526 . . . . 0.0 110.832 173.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.0 158.7 15.47 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.247 1.019 . . . . 0.0 110.523 169.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.26 119.85 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.988 1.315 . . . . 0.0 109.062 -168.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.48 124.0 38.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.699 1.2 . . . . 0.0 109.52 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.6 132.9 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.794 0.838 . . . . 0.0 110.421 -169.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.38 139.94 14.74 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.3 mt -123.5 132.46 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.932 0.893 . . . . 0.0 109.51 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -133.0 75.03 1.6 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.358 -168.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.01 157.44 50.56 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -59.82 158.4 29.06 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.086 1.857 . . . . 0.0 111.36 169.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.424 ' HB3' ' HZ2' ' B' ' 38' ' ' LYS . 2.7 mmmp? -72.1 -0.85 12.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.496 0.718 . . . . 0.0 112.61 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.99 -23.25 66.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.96 1.304 . . . . 0.0 112.035 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.6 144.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.225 1.01 . . . . 0.0 110.458 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.81 142.3 29.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.772 0.796 . . . . 0.0 111.686 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.28 96.55 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.257 -166.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.04 159.31 42.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.26 0.552 . . . . 0.0 111.686 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.6 ptt-85 -68.98 158.08 35.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.948 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -55.3 -41.78 72.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.46 0.704 . . . . 0.0 112.377 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.28 -17.33 62.39 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -94.13 -50.37 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.238 1.015 . . . . 0.0 110.511 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -50.52 -36.9 36.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.917 1.287 . . . . 0.0 112.049 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -69.83 -21.99 63.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -79.51 -41.46 27.33 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.288 0.949 . . . . 0.0 110.01 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.5 -39.72 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -81.49 5.13 18.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.28 -17.31 46.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.489 0.716 . . . . 0.0 111.869 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.54 45.76 0.1 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-O 119.644 -0.531 . . . . 0.0 114.011 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.07 -177.41 2.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.851 0.826 . . . . 0.0 112.679 -168.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -131.53 -167.35 1.85 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.176 1.391 . . . . 0.0 108.779 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.36 134.76 24.44 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 118.308 0.504 . . . . 0.0 111.162 -170.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -45.73 162.87 0.1 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 1 C-N-CA 125.55 4.167 . . . . 0.0 115.921 -178.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 125.423 1.489 . . . . 0.0 113.501 170.149 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.63 105.43 13.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 166.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.51 134.09 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.602 0.761 . . . . 0.0 109.631 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.8 mt -129.83 134.94 47.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.144 0.978 . . . . 0.0 109.347 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -90.94 148.81 22.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -146.05 141.51 27.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.012 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -94.29 147.61 23.03 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.25 134.4 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-N 119.207 0.912 . . . . 0.0 111.896 -172.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -8.6 73.8 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.958 1.266 . . . . 0.0 114.763 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -89.16 -176.91 5.28 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.491 1.646 . . . . 0.0 112.441 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -143.36 160.72 40.02 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 66.4 mt -137.57 157.77 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.452 2.301 . . . . 0.0 108.507 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -125.44 147.13 49.32 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.573 1.149 . . . . 0.0 111.428 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.14 136.64 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.648 1.179 . . . . 0.0 108.902 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.13 -138.77 44.86 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.589 -0.605 . . . . 0.0 111.589 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.54 7.41 11.8 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.109 0.963 . . . . 0.0 111.408 169.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -128.57 -13.04 4.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.013 0.925 . . . . 0.0 113.313 -169.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.21 141.23 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.646 0.657 . . . . 0.0 110.836 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -131.59 142.54 49.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.871 1.269 . . . . 0.0 109.079 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -124.75 144.1 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.547 1.139 . . . . 0.0 108.198 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -135.28 141.97 45.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.341 0.657 . . . . 0.0 110.405 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.45 120.39 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.4 -40.24 10.48 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -177.41 43.54 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.894 168.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.97 149.04 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.653 0.781 . . . . 0.0 110.455 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 m -143.76 101.86 3.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.628 1.171 . . . . 0.0 108.727 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.55 24.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -169.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.56 0.18 56.51 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.912 0.885 . . . . 0.0 112.004 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -87.45 152.89 21.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 110.734 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.76 125.35 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 124.356 1.062 . . . . 0.0 108.653 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -84.64 113.52 21.33 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -119.13 134.06 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.969 1.308 . . . . 0.0 109.222 -174.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.29 141.78 15.4 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.052 0.834 . . . . 0.0 112.134 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -129.73 124.28 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 108.86 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -124.67 95.09 4.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.241 0.616 . . . . 0.0 110.174 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.77 157.24 78.38 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.29 1.036 . . . . 0.0 110.046 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -63.21 153.35 74.71 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.54 2.16 . . . . 0.0 111.162 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.73 -0.91 2.38 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.377 0.671 . . . . 0.0 112.641 171.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.86 -22.14 66.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.369 1.068 . . . . 0.0 111.249 169.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -125.27 147.36 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.195 0.998 . . . . 0.0 110.464 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.04 156.36 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.573 0.349 . . . . 0.0 111.144 174.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.25 132.79 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 169.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -153.68 164.62 37.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.151 0.581 . . . . 0.0 111.728 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 60.3 mtm-85 -78.98 155.73 28.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 166.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.54 -34.9 71.51 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.825 0.739 . . . . 0.0 111.539 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.98 -26.29 66.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.31 1.044 . . . . 0.0 113.491 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.9 mm -91.91 -37.1 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.929 0.892 . . . . 0.0 110.396 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.09 -35.09 59.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.972 1.309 . . . . 0.0 112.47 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.54 -29.2 67.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.13 -38.22 81.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.74 0.816 . . . . 0.0 111.829 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.61 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.403 ' HG2' ' CD1' ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.44 113.38 25.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.019 1.728 . . . . 0.0 109.042 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.403 ' CD1' ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -104.58 138.92 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.244 1.418 . . . . 0.0 109.215 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -131.85 166.66 21.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.951 1.3 . . . . 0.0 111.37 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.76 109.95 15.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 0.0 108.803 168.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -113.94 131.46 56.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.197 0.999 . . . . 0.0 109.701 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -77.73 157.57 30.02 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.969 0.804 . . . . 0.0 110.043 168.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -57.47 136.16 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.581 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.31 85.04 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.29 0.948 . . . . 0.0 114.127 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -96.51 176.32 6.07 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.989 1.395 . . . . 0.0 111.891 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -133.84 160.01 38.93 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -168.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -143.18 160.96 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 127.848 2.459 . . . . 0.0 108.565 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -139.76 153.02 47.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.076 0.95 . . . . 0.0 112.463 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.4 140.19 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.903 1.281 . . . . 0.0 109.127 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -136.84 50.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -124.51 9.97 8.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.115 0.966 . . . . 0.0 111.638 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.35 -10.83 2.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.76 137.93 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.78 0.718 . . . . 0.0 110.587 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -123.71 148.45 46.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.508 1.123 . . . . 0.0 109.787 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.52 141.35 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 125.402 1.481 . . . . 0.0 107.906 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -135.84 135.32 39.71 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.085 0.554 . . . . 0.0 109.664 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.24 102.34 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.12 -29.32 54.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.444 0.698 . . . . 0.0 110.899 -169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -170.54 38.78 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 122.842 0.258 . . . . 0.0 112.669 170.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.48 159.06 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.343 0.657 . . . . 0.0 110.886 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -143.54 73.37 1.39 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.015 0.926 . . . . 0.0 108.979 173.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.12 -113.43 3.66 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.83 -7.85 51.18 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.862 0.865 . . . . 0.0 110.199 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.69 157.51 25.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.129 0.966 . . . . 0.0 112.672 170.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 t -130.86 124.14 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 126.529 1.932 . . . . 0.0 106.841 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -92.63 115.58 28.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.61 127.77 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.177 0.591 . . . . 0.0 110.392 -168.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 135.05 12.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.38 138.44 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -138.08 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.057 0.543 . . . . 0.0 109.973 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.71 157.88 53.3 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.326 1.05 . . . . 0.0 110.007 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.7 151.62 84.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.185 1.923 . . . . 0.0 110.671 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.82 -1.62 7.6 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 175.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.09 -22.69 66.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.848 1.259 . . . . 0.0 111.621 168.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.51 160.02 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.191 0.996 . . . . 0.0 110.965 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.66 157.01 16.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.374 0.669 . . . . 0.0 112.616 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.28 121.98 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 122.949 0.5 . . . . 0.0 110.364 167.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -150.1 160.02 43.97 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.787 0.835 . . . . 0.0 111.501 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -63.82 159.45 19.49 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.656 169.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.56 -31.18 71.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.327 0.651 . . . . 0.0 111.64 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.35 -43.07 88.18 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 124.134 0.973 . . . . 0.0 111.945 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -86.25 -36.75 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.697 1.199 . . . . 0.0 110.422 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -52.3 -42.91 64.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.966 0.906 . . . . 0.0 110.885 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.23 -25.71 67.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -73.58 -42.33 61.73 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 118.964 0.802 . . . . 0.0 110.433 171.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.442 -178.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mm -108.11 140.99 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.345 1.058 . . . . 0.0 110.019 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 44.7 mt -138.63 162.55 34.32 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.071 1.349 . . . . 0.0 111.302 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.98 106.2 6.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 166.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -118.79 141.71 48.38 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.918 1.287 . . . . 0.0 110.221 -173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -100.43 168.82 9.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -59.02 136.11 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.396 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.88 -6.88 81.82 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.213 0.911 . . . . 0.0 114.302 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -91.08 168.1 11.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.743 1.272 . . . . 0.0 111.477 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -135.12 159.94 39.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -143.02 157.56 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.52 1.928 . . . . 0.0 107.913 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.84 149.23 47.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.94 141.39 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.847 1.259 . . . . 0.0 108.899 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -133.89 52.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -173.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -126.49 4.87 6.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.906 0.882 . . . . 0.0 111.501 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -133.82 -4.41 2.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.917 0.887 . . . . 0.0 113.381 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.34 136.42 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.764 0.711 . . . . 0.0 110.739 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -128.78 141.79 51.2 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.463 1.105 . . . . 0.0 109.9 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -121.81 140.08 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 125.298 1.439 . . . . 0.0 108.183 176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -137.06 126.2 24.56 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.021 0.529 . . . . 0.0 110.021 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.28 112.26 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 169.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.48 -33.54 48.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.491 0.317 . . . . 0.0 110.543 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 -175.39 36.51 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.101 0.382 . . . . 0.0 113.568 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.64 155.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 C-N-CA 123.488 0.715 . . . . 0.0 112.39 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -145.64 89.97 1.96 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.436 1.494 . . . . 0.0 109.212 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.41 -114.58 4.74 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.656 -0.653 . . . . 0.0 111.927 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -87.98 -18.61 28.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.718 0.759 . . . . 0.0 111.18 171.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.93 150.93 30.37 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.03 0.919 . . . . 0.0 111.041 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -144.46 110.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -86.39 124.61 32.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.42 133.06 57.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.048 0.539 . . . . 0.0 110.851 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.96 143.93 16.97 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.381 0.991 . . . . 0.0 111.918 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.95 124.81 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.257 1.423 . . . . 0.0 108.846 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -125.5 100.22 6.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.163 0.585 . . . . 0.0 109.742 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.25 155.66 72.27 Favored Pre-proline 0 N--CA 1.452 -0.36 0 C-N-CA 124.428 1.091 . . . . 0.0 110.495 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.64 158.88 34.88 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.708 2.272 . . . . 0.0 111.902 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -69.05 -0.77 6.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.41 0.684 . . . . 0.0 112.591 169.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -22.88 67.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.957 1.303 . . . . 0.0 111.562 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.86 156.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.178 0.991 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.0 157.3 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.764 0.426 . . . . 0.0 111.729 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.95 125.0 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.249 169.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -150.56 167.0 28.53 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.128 0.971 . . . . 0.0 110.865 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -66.51 154.52 40.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -58.24 -24.63 59.94 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.84 0.456 . . . . 0.0 111.708 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.99 -48.51 73.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.611 1.164 . . . . 0.0 111.795 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.49 -32.06 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.158 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.5 t80 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 123.452 0.701 . . . . 0.0 112.179 177.456 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.16 148.08 23.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 122.056 -0.402 . . . . 0.0 111.564 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.47 134.58 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.27 162.66 25.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 109.77 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.57 97.03 4.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.529 0.681 . . . . 0.0 109.559 169.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -104.91 162.11 13.62 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.097 1.359 . . . . 0.0 110.396 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -117.05 172.15 7.46 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -56.37 136.23 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.506 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.06 -4.52 81.35 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.328 0.966 . . . . 0.0 114.777 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -90.04 170.15 10.58 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.906 1.353 . . . . 0.0 112.297 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -137.79 153.92 49.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -127.06 154.78 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 126.613 1.965 . . . . 0.0 108.431 174.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -121.68 148.13 44.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.618 0.767 . . . . 0.0 111.673 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -133.67 144.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.676 1.19 . . . . 0.0 108.943 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.29 -132.17 51.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.43 7.82 7.05 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.626 0.77 . . . . 0.0 111.785 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -139.34 -14.01 1.14 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -101.74 138.12 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.966 0.803 . . . . 0.0 110.291 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -127.21 142.52 51.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.131 0.973 . . . . 0.0 110.321 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -122.47 139.69 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 125.249 1.42 . . . . 0.0 108.321 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.2 m -135.84 137.57 41.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.697 0.799 . . . . 0.0 110.3 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.58 109.22 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.74 -32.57 52.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.116 -0.365 . . . . 0.0 110.523 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.66 -174.89 37.39 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 122.885 0.279 . . . . 0.0 113.515 169.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -117.85 159.64 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.573 0.749 . . . . 0.0 112.117 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.05 90.09 1.65 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.55 1.14 . . . . 0.0 109.039 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.44 -102.97 1.25 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 121.88 -0.512 . . . . 0.0 111.997 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -99.81 -19.64 16.59 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.475 0.637 . . . . 0.0 112.001 171.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -74.61 145.11 43.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.348 0.594 . . . . 0.0 110.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -137.23 112.73 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -174.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -88.16 125.3 34.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.298 0.639 . . . . 0.0 109.658 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.34 142.25 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.419 1.088 . . . . 0.0 110.122 -168.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.39 140.4 16.31 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 123.962 0.791 . . . . 0.0 111.359 170.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mt -127.72 136.13 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.365 1.066 . . . . 0.0 109.312 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -131.52 107.4 8.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.549 0.74 . . . . 0.0 109.504 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.11 158.09 76.48 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.935 0.894 . . . . 0.0 111.579 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.48 162.35 37.05 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.148 2.565 . . . . 0.0 112.357 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -66.05 -15.85 63.41 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.012 0.925 . . . . 0.0 112.198 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -18.46 65.32 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.889 1.276 . . . . 0.0 112.468 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.01 163.1 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.727 0.811 . . . . 0.0 110.974 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.52 161.94 14.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.506 171.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.09 126.61 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.016 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -155.03 171.58 19.51 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.823 0.849 . . . . 0.0 110.562 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -73.29 161.85 30.03 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 167.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.52 -25.59 68.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.906 -0.496 . . . . 0.0 112.214 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.74 -43.41 80.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -90.91 -29.82 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.419 0.688 . . . . 0.0 110.127 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 123.737 0.815 . . . . 0.0 113.025 177.707 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.082 -0.485 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.52 112.32 24.67 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.51 0.724 . . . . 0.0 109.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.63 135.15 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.828 0.851 . . . . 0.0 109.921 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.8 mt -132.26 156.45 46.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 109.609 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -117.86 100.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.91 138.85 49.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.845 0.858 . . . . 0.0 110.64 -168.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -103.13 157.05 17.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.627 0.371 . . . . 0.0 110.44 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.53 122.94 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.667 0.787 . . . . 0.0 110.894 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.27 -2.29 65.39 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.177 0.894 . . . . 0.0 113.989 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -98.4 165.17 11.97 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.494 1.147 . . . . 0.0 111.415 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -132.94 157.85 44.09 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mm -116.5 160.55 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.654 1.981 . . . . 0.0 108.491 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -131.48 137.82 48.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.528 1.131 . . . . 0.0 109.94 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -130.76 132.21 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.06 0.944 . . . . 0.0 109.225 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -131.98 36.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -122.92 -0.65 8.98 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -131.99 -21.78 2.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mt -100.64 140.38 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 118.774 0.716 . . . . 0.0 110.704 -170.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -131.62 138.19 48.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.448 1.099 . . . . 0.0 109.402 172.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -119.77 139.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.326 1.05 . . . . 0.0 108.227 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.4 m -135.61 131.63 36.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.849 0.75 . . . . 0.0 110.061 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.98 97.26 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.85 -31.89 68.75 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.813 -0.554 . . . . 0.0 110.689 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.62 -177.2 44.56 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 113.795 0.278 . . . . 0.0 113.795 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.22 152.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -137.19 60.98 1.63 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.497 1.119 . . . . 0.0 109.612 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.29 -120.86 5.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.45 -11.85 58.24 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.557 0.743 . . . . 0.0 112.003 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -98.99 150.52 21.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.922 0.868 . . . . 0.0 112.167 171.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -127.31 138.59 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.745 2.018 . . . . 0.0 108.151 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm105 -119.21 107.6 13.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.344 0.592 . . . . 0.0 110.698 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.7 mt -111.99 135.72 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.53 1.532 . . . . 0.0 109.269 -170.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.05 138.45 13.9 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 123.691 0.662 . . . . 0.0 111.558 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -111.75 131.48 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.16 1.384 . . . . 0.0 108.111 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -121.29 74.97 1.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.226 1.01 . . . . 0.0 109.23 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.75 155.2 40.24 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.665 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 154.26 59.94 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.394 2.062 . . . . 0.0 110.473 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -68.87 -4.34 16.0 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -68.7 -25.67 64.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.87 0.868 . . . . 0.0 112.032 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.35 143.96 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.935 0.874 . . . . 0.0 111.9 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.95 27.43 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.329 1.052 . . . . 0.0 110.749 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.98 129.56 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.913 0.485 . . . . 0.0 110.053 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -150.16 158.5 44.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.009 0.524 . . . . 0.0 111.715 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -69.63 160.7 31.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.154 0.582 . . . . 0.0 110.471 169.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.78 -38.78 89.31 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -78.52 1.55 22.04 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.0 -11.22 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.862 1.265 . . . . 0.0 111.034 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.367 0 O-C-N 120.377 -1.452 . . . . 0.0 110.384 172.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.669 -0.205 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.36 120.73 40.6 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.266 1.427 . . . . 0.0 107.228 169.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 64.5 mt -116.28 132.77 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 112.013 -165.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.4 mt -136.37 142.54 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.771 1.228 . . . . 0.0 110.662 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -107.88 128.89 55.02 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.293 0.637 . . . . 0.0 109.747 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -130.58 126.45 36.74 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.85 1.26 . . . . 0.0 110.604 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -75.25 153.05 38.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.631 167.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -57.19 125.75 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.503 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.69 -8.8 58.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 118.885 -0.953 . . . . 0.0 115.242 -173.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -87.71 169.7 11.88 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.318 1.559 . . . . 0.0 111.647 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -141.32 158.14 44.27 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -168.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -133.4 154.68 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 127.148 2.179 . . . . 0.0 108.642 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 144.3 50.87 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.522 1.129 . . . . 0.0 110.846 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -133.44 129.88 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.527 1.131 . . . . 0.0 109.417 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.85 51.59 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -124.6 4.97 8.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.849 0.86 . . . . 0.0 112.632 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.5 -21.79 10.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.51 138.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 118.982 0.81 . . . . 0.0 111.481 -169.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -134.47 149.04 50.68 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.96 1.304 . . . . 0.0 110.029 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mm -129.91 139.48 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.815 1.646 . . . . 0.0 108.449 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -135.91 129.13 31.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.256 0.623 . . . . 0.0 110.322 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.75 109.77 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 169.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.56 -33.08 54.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.022 -0.424 . . . . 0.0 110.816 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.08 178.3 35.85 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 122.563 0.125 . . . . 0.0 112.992 171.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -111.02 152.47 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.134 0.492 . . . . 0.0 110.78 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -133.39 78.14 1.76 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.629 1.172 . . . . 0.0 108.695 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -115.97 4.75 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.09 6.43 44.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 151.32 21.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.206 1.002 . . . . 0.0 110.072 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.11 116.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.55 116.65 23.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.423 1.089 . . . . 0.0 109.514 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.44 131.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.397 1.079 . . . . 0.0 109.851 -169.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.48 139.33 14.48 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.16 131.2 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.849 0.833 . . . . 0.0 109.22 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.17 78.18 1.8 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.6 -167.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.08 157.04 65.2 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 109.287 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' B' ' 39' ' ' ASP . 32.3 Cg_endo -58.72 154.54 42.66 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.724 1.616 . . . . 0.0 109.634 168.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -0.63 11.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.792 0.806 . . . . 0.0 110.908 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.0 OUTLIER -66.01 -26.19 67.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.267 1.827 . . . . 0.0 111.261 172.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -108.02 144.05 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.369 1.068 . . . . 0.0 109.966 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.469 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.11 141.57 29.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 111.374 170.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.18 97.54 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.322 -166.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.469 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -149.23 161.61 41.67 Favored 'General case' 0 N--CA 1.458 -0.045 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -69.45 161.08 30.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.011 0.924 . . . . 0.0 111.833 170.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.29 -46.37 69.31 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 123.617 0.767 . . . . 0.0 112.727 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.93 -14.83 62.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -93.34 -50.1 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.371 0.669 . . . . 0.0 110.495 170.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -47.49 -42.94 23.96 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 111.218 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.72 -15.3 62.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.794 1.238 . . . . 0.0 114.262 -169.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -89.06 -33.2 17.21 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.257 0.935 . . . . 0.0 112.033 172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.87 -62.08 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.119 0.967 . . . . 0.0 112.565 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 2.38 2.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.652 -0.655 . . . . 0.0 112.552 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.16 -20.18 60.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.332 0.653 . . . . 0.0 111.991 169.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.33 31.68 0.06 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.174 -0.792 . . . . 0.0 114.839 169.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -168.48 -172.98 1.82 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.448 1.124 . . . . 0.0 112.656 -167.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -133.96 -167.7 2.0 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.753 1.221 . . . . 0.0 109.569 168.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 126.4 4.48 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.729 0.812 . . . . 0.0 111.438 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.88 147.96 30.84 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.907 3.072 . . . . 0.0 114.01 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t0 . . . . . 0 N--CA 1.455 -0.202 0 C-N-CA 125.216 1.406 . . . . 0.0 112.881 173.031 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.31 106.55 14.46 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 167.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.49 134.71 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.72 0.808 . . . . 0.0 109.23 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -128.7 134.94 48.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.269 0.628 . . . . 0.0 109.497 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -99.43 134.18 42.67 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.164 0.985 . . . . 0.0 110.367 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 160.99 41.11 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.544 167.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -85.09 160.22 20.02 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.49 1.116 . . . . 0.0 109.428 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.72 138.91 19.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 O-C-N 121.708 -0.62 . . . . 0.0 111.63 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.58 83.53 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.673 1.13 . . . . 0.0 114.467 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.69 -175.95 4.82 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.429 1.615 . . . . 0.0 112.922 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.55 151.41 47.29 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 124.561 1.144 . . . . 0.0 113.141 -166.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.82 150.85 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 108.855 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.52 147.55 45.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.543 1.137 . . . . 0.0 111.923 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -132.72 129.38 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.44 1.096 . . . . 0.0 108.706 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.65 -139.55 42.28 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.01 10.01 10.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.077 0.951 . . . . 0.0 111.915 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -116.77 -19.4 9.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.254 1.021 . . . . 0.0 113.026 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.01 139.67 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.798 0.726 . . . . 0.0 111.126 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -129.44 141.85 50.93 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.487 1.115 . . . . 0.0 109.566 172.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.94 135.31 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.925 1.29 . . . . 0.0 108.384 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -122.58 141.73 51.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.875 0.87 . . . . 0.0 110.054 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -101.95 116.16 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.74 -39.33 13.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -177.75 42.24 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.594 -0.336 . . . . 0.0 113.749 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.01 148.58 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.315 0.646 . . . . 0.0 110.906 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -147.26 112.58 5.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.964 1.306 . . . . 0.0 108.114 170.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.47 -142.02 29.56 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.441 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.86 5.27 29.51 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.365 0.666 . . . . 0.0 110.952 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.97 144.78 25.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.934 1.694 . . . . 0.0 110.715 -174.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.14 119.91 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -81.88 115.47 21.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.484 0.584 . . . . 0.0 109.523 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -116.99 127.01 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.272 1.429 . . . . 0.0 109.509 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.35 141.21 17.3 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.074 1.321 . . . . 0.0 111.86 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.61 132.16 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.91 92.04 2.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.334 0.653 . . . . 0.0 109.482 -173.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.22 154.7 80.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.031 0.932 . . . . 0.0 110.033 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.02 151.48 81.3 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.438 2.092 . . . . 0.0 110.895 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.33 -1.06 3.02 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.43 0.692 . . . . 0.0 112.446 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -23.64 66.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.473 1.109 . . . . 0.0 111.426 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.61 147.5 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.081 0.953 . . . . 0.0 110.544 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.07 155.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.187 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.0 130.27 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 169.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -153.94 162.19 41.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.038 0.535 . . . . 0.0 111.691 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -81.42 160.37 24.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 166.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.89 -36.3 76.66 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -168.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.36 -21.27 62.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -93.99 -36.11 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.406 0.683 . . . . 0.0 110.636 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -51.68 -36.32 46.07 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.153 0.981 . . . . 0.0 112.492 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.93 -30.24 67.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.744 0.818 . . . . 0.0 112.481 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -67.87 -38.06 82.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.542 0.737 . . . . 0.0 111.77 174.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.345 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.75 107.28 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.79 140.3 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.383 1.073 . . . . 0.0 108.898 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.77 158.91 38.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 110.858 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 109.87 21.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 165.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.4 130.87 55.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.521 0.329 . . . . 0.0 110.6 -177.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -77.04 153.35 34.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.283 170.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -57.95 136.54 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -3.82 85.89 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.004 -0.886 . . . . 0.0 114.205 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.47 168.49 12.15 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.951 1.376 . . . . 0.0 111.836 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -126.79 155.59 42.58 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 112.818 -169.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -140.14 161.08 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 126.961 2.104 . . . . 0.0 108.472 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -141.5 151.31 43.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.154 0.981 . . . . 0.0 111.955 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -134.86 138.27 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 109.087 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -135.39 52.02 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -124.45 8.95 8.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.054 0.942 . . . . 0.0 111.807 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.67 -11.27 2.72 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.57 137.23 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 118.736 0.698 . . . . 0.0 110.582 -171.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -121.01 149.25 42.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.56 1.144 . . . . 0.0 109.719 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -132.36 145.55 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.886 1.675 . . . . 0.0 107.498 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -143.54 129.41 19.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.627 -0.671 . . . . 0.0 109.965 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.86 96.91 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 173.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.44 -28.52 62.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.97 -0.456 . . . . 0.0 110.82 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.48 40.04 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.106 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -108.03 158.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.833 0.853 . . . . 0.0 110.401 169.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.9 t -145.24 76.72 1.49 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 109.645 171.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.85 -113.36 3.66 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.478 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 8.9 mp0 -99.69 -0.27 40.48 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.473 0.709 . . . . 0.0 110.656 171.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -78.74 160.05 27.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 111.817 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -134.04 124.77 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.62 169.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -84.54 115.35 22.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.051 0.94 . . . . 0.0 108.845 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.19 119.87 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 O-C-N 123.71 0.631 . . . . 0.0 109.315 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.7 132.12 11.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mt -121.68 135.94 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -138.04 89.86 2.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.232 0.539 . . . . 0.0 109.799 -169.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.36 158.54 61.0 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 124.749 1.22 . . . . 0.0 109.7 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -62.14 151.16 83.59 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.876 1.717 . . . . 0.0 110.205 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -65.16 -0.74 1.81 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.308 0.643 . . . . 0.0 112.459 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.0 -24.82 66.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.066 1.346 . . . . 0.0 111.433 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.79 159.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.546 1.138 . . . . 0.0 110.934 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 157.04 16.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.14 123.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.891 0.477 . . . . 0.0 110.473 168.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -149.62 155.82 40.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.897 0.879 . . . . 0.0 110.965 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -69.36 160.01 32.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.031 -0.418 . . . . 0.0 110.608 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.19 -32.52 71.16 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.61 0.764 . . . . 0.0 112.056 -170.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.67 -43.49 72.48 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 124.488 1.115 . . . . 0.0 112.137 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -88.74 -37.13 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.514 1.126 . . . . 0.0 110.649 -170.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -50.44 -41.3 52.44 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 170.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -67.71 -25.6 65.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -76.42 -35.2 58.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 119.268 0.94 . . . . 0.0 111.164 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -176.596 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.5 0.191 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.26 137.78 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.143 0.977 . . . . 0.0 109.192 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.66 164.16 26.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 110.898 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 105.59 8.0 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 166.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -112.4 128.98 56.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.432 1.493 . . . . 0.0 109.863 -171.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -93.05 165.15 12.99 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.719 1.145 . . . . 0.0 112.575 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -59.79 137.9 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.45 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.53 -3.65 83.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.06 0.838 . . . . 0.0 114.114 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -97.0 172.64 7.72 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.673 1.236 . . . . 0.0 111.341 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -132.72 158.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -169.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.83 157.19 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 127.147 2.179 . . . . 0.0 108.144 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -135.86 149.07 48.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.581 -0.7 . . . . 0.0 112.827 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.45 134.23 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.716 1.206 . . . . 0.0 109.021 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.23 -138.64 48.64 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.39 9.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.946 0.898 . . . . 0.0 112.517 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -126.08 -14.5 6.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.12 135.56 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 119.215 0.916 . . . . 0.0 111.165 -170.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -125.94 143.31 51.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.651 1.181 . . . . 0.0 109.823 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -123.7 141.04 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.194 1.398 . . . . 0.0 108.117 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -136.78 126.09 24.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.925 0.49 . . . . 0.0 109.952 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.82 102.62 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.03 -29.79 63.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.097 -0.377 . . . . 0.0 110.927 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.06 -173.65 34.66 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 123.379 0.514 . . . . 0.0 113.537 170.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.72 159.91 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 124.033 0.933 . . . . 0.0 111.861 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.94 93.77 2.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.528 1.131 . . . . 0.0 109.084 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.45 -112.91 4.97 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.25 -22.33 19.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 117.519 0.659 . . . . 0.0 111.564 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.01 140.36 52.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.341 0.591 . . . . 0.0 109.932 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.23 115.48 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -91.56 122.79 34.45 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.315 0.646 . . . . 0.0 109.539 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.01 131.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.351 0.66 . . . . 0.0 110.717 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.84 140.2 14.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.517 1.056 . . . . 0.0 111.276 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -131.42 125.92 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.715 1.206 . . . . 0.0 108.891 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -126.38 98.99 5.65 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.78 73.87 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.0 110.569 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.58 158.63 40.48 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.016 2.477 . . . . 0.0 112.08 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -72.11 -0.99 13.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 171.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.95 -22.59 66.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.412 1.085 . . . . 0.0 111.484 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.25 157.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.277 1.031 . . . . 0.0 110.435 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.58 160.22 14.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.98 127.98 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.105 0.562 . . . . 0.0 110.406 170.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -151.59 169.05 23.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.662 0.785 . . . . 0.0 111.119 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.0 155.82 39.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.53 -31.06 69.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.204 0.457 . . . . 0.0 111.76 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.76 -41.53 70.56 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.644 1.178 . . . . 0.0 112.229 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -89.89 -34.65 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.424 1.09 . . . . 0.0 109.737 -172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 125.078 1.351 . . . . 0.0 112.987 -179.37 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.178 0.066 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.18 150.0 20.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.18 -0.325 . . . . 0.0 111.442 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.26 130.9 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 169.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.8 mt -127.3 156.36 42.06 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.726 1.21 . . . . 0.0 109.293 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -130.48 98.53 4.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 168.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 162.01 18.51 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 122.83 0.452 . . . . 0.0 110.723 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -106.36 175.27 5.56 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 122.934 0.494 . . . . 0.0 111.318 -172.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.76 137.76 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.02 84.33 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.106 0.86 . . . . 0.0 115.051 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -85.41 170.92 12.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 119.066 1.433 . . . . 0.0 112.293 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -133.0 150.06 52.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.872 0.869 . . . . 0.0 112.078 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -134.62 158.03 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 126.269 1.828 . . . . 0.0 107.746 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -133.57 149.52 51.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.43 0.692 . . . . 0.0 112.241 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.64 140.31 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.637 1.175 . . . . 0.0 109.028 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.57 -134.76 51.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.92 10.15 6.98 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -131.39 -21.21 2.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.91 138.6 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.385 0.993 . . . . 0.0 111.25 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -129.27 143.97 51.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.631 1.172 . . . . 0.0 110.628 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -125.04 129.28 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.3 1.44 . . . . 0.0 108.966 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -127.94 126.78 42.1 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.354 0.662 . . . . 0.0 110.384 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -85.82 111.88 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.38 -34.02 42.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.847 0.459 . . . . 0.0 110.268 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.56 -174.32 36.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.958 0.313 . . . . 0.0 113.465 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.9 160.37 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.738 0.815 . . . . 0.0 112.004 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.34 91.3 1.81 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.426 1.09 . . . . 0.0 109.218 169.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.78 -102.99 1.2 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -99.43 -18.26 17.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.394 0.597 . . . . 0.0 112.212 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.9 144.63 41.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.045 0.538 . . . . 0.0 110.535 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.03 111.19 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.33 120.54 30.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.235 0.614 . . . . 0.0 109.659 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.08 134.53 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.242 1.017 . . . . 0.0 110.146 -169.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.53 144.88 16.04 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.037 0.827 . . . . 0.0 111.369 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 64.0 mt -134.46 125.1 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.839 0.856 . . . . 0.0 109.279 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -118.18 103.88 10.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.066 0.946 . . . . 0.0 108.957 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.89 76.92 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.954 0.902 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.93 160.52 40.85 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.781 2.321 . . . . 0.0 112.263 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -64.74 -11.6 38.12 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.33 -14.48 61.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.804 1.242 . . . . 0.0 112.482 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -126.31 163.82 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.911 0.884 . . . . 0.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.94 162.97 13.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.364 0.666 . . . . 0.0 111.499 171.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.1 119.99 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.401 0.68 . . . . 0.0 110.153 172.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -152.26 173.28 15.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.779 0.832 . . . . 0.0 110.603 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.37 160.88 31.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.12 -22.3 66.88 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.47 -43.5 93.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.421 1.088 . . . . 0.0 111.731 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -87.44 -30.73 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 0.0 112.8 177.186 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 118.964 -0.541 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.99 113.65 25.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.344 0.658 . . . . 0.0 109.919 -174.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -98.74 134.79 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.36 152.5 50.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.75 0.82 . . . . 0.0 109.937 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.5 m -128.05 100.95 6.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.797 0.839 . . . . 0.0 109.536 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -129.12 152.34 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.936 0.494 . . . . 0.0 111.08 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 162.56 13.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.631 0.773 . . . . 0.0 111.475 -177.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.0 t -43.3 129.88 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.318 1.047 . . . . 0.0 111.373 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.53 -6.04 70.74 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.294 0.949 . . . . 0.0 113.989 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -93.59 170.83 9.3 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.621 1.21 . . . . 0.0 112.177 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -139.27 154.84 48.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.0 mm -123.06 158.03 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 126.577 1.951 . . . . 0.0 109.715 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -128.04 139.71 52.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.303 1.041 . . . . 0.0 111.217 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -134.42 135.62 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.43 1.092 . . . . 0.0 109.425 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.63 -129.99 25.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.34 -0.6 6.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.0 0.92 . . . . 0.0 112.224 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -137.04 -15.43 1.51 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -169.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.41 137.55 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.394 0.678 . . . . 0.0 110.968 -168.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -138.94 127.84 23.62 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.319 0.647 . . . . 0.0 110.315 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -108.8 145.51 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.413 1.085 . . . . 0.0 108.998 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.7 m -138.4 135.01 34.86 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.208 0.603 . . . . 0.0 110.278 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -86.25 95.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 169.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.01 -26.83 65.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.983 -0.448 . . . . 0.0 110.316 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.45 -167.94 41.03 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 117.764 0.256 . . . . 0.0 113.607 169.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.85 146.1 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.779 0.832 . . . . 0.0 110.605 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 m -136.41 64.4 1.55 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.877 1.271 . . . . 0.0 109.814 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.12 -120.38 7.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.94 -4.33 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.442 0.697 . . . . 0.0 111.921 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -98.96 159.18 15.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.623 0.725 . . . . 0.0 111.69 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.07 133.72 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.227 1.411 . . . . 0.0 108.755 -170.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -102.09 101.84 12.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.666 0.786 . . . . 0.0 109.194 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.84 134.11 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.376 1.07 . . . . 0.0 109.887 -173.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.57 144.61 17.64 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.902 0.763 . . . . 0.0 111.997 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.26 130.7 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.414 1.486 . . . . 0.0 108.536 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -116.97 74.93 0.94 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.687 0.795 . . . . 0.0 109.613 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.82 153.26 39.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.233 0.613 . . . . 0.0 110.994 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.29 155.04 51.56 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.62 2.213 . . . . 0.0 110.247 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -67.87 -4.3 12.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -71.03 -20.22 62.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 112.17 170.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -119.14 144.07 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.946 0.879 . . . . 0.0 111.549 170.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.79 143.06 36.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.774 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.74 126.95 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-N 118.399 0.545 . . . . 0.0 110.404 170.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -153.51 -175.99 5.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.963 0.905 . . . . 0.0 110.458 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 172.59 12.09 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 170.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.92 -36.59 74.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.773 1.229 . . . . 0.0 113.583 -166.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.53 -12.69 58.86 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.57 -28.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.607 1.163 . . . . 0.0 111.235 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.452 -0.338 0 O-C-N 121.546 -0.721 . . . . 0.0 110.847 -177.342 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -114.82 124.77 52.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.1 139.41 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -165.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -134.42 143.56 47.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.024 1.33 . . . . 0.0 110.766 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m -119.39 105.6 11.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -130.91 155.7 46.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.534 0.734 . . . . 0.0 110.34 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -90.69 164.76 14.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.18 131.14 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.238 0.542 . . . . 0.0 110.315 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.21 -5.26 62.98 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.121 -0.822 . . . . 0.0 114.822 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.71 158.89 20.64 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.119 1.46 . . . . 0.0 112.752 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -121.2 146.13 47.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.488 1.115 . . . . 0.0 111.772 -171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.97 152.81 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.877 1.671 . . . . 0.0 108.664 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -137.25 143.14 42.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.574 -0.704 . . . . 0.0 112.732 -169.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.78 132.65 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.468 1.107 . . . . 0.0 109.853 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -139.88 47.88 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.664 0.65 . . . . 0.0 111.513 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.85 0.99 12.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.893 0.877 . . . . 0.0 111.852 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -120.87 -16.57 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.75 0.82 . . . . 0.0 113.184 -169.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.59 135.86 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.716 0.769 . . . . 0.0 110.904 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 147.89 50.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.522 1.129 . . . . 0.0 109.535 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.0 mm -127.92 144.01 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.876 1.671 . . . . 0.0 107.788 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -140.29 128.59 22.53 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -80.44 110.19 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -81.97 -29.36 32.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.977 -0.452 . . . . 0.0 110.912 -177.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -178.94 34.14 Favored Glycine 0 C--N 1.335 0.482 0 CA-C-O 120.9 0.166 . . . . 0.0 112.724 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -108.97 152.38 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.265 0.555 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -135.47 76.27 1.61 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.594 1.158 . . . . 0.0 108.37 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -114.45 4.02 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.87 15.5 22.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.177 0.489 . . . . 0.0 111.337 169.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -98.91 158.26 15.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.462 1.105 . . . . 0.0 109.544 169.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.76 116.58 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -84.45 116.28 23.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.239 1.416 . . . . 0.0 109.206 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -128.54 130.64 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.889 0.876 . . . . 0.0 110.034 -171.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.93 140.13 14.87 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 123.593 0.616 . . . . 0.0 111.85 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.8 mt -123.78 130.59 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.155 0.982 . . . . 0.0 108.896 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -132.53 79.34 1.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.649 -168.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.65 158.49 64.79 Favored Pre-proline 0 N--CA 1.45 -0.45 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.812 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.3 156.47 40.44 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.09 1.86 . . . . 0.0 111.166 169.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -67.63 -0.7 4.17 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.572 0.749 . . . . 0.0 112.3 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.86 -27.55 68.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.372 1.469 . . . . 0.0 111.317 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -109.47 144.15 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.629 1.172 . . . . 0.0 110.11 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.461 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -85.7 141.41 29.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 170.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t -144.29 97.39 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.856 -167.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -144.78 163.97 32.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 C-N-CA 123.941 0.896 . . . . 0.0 110.293 177.128 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 16.4 ptt180 -66.98 157.6 32.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.111 -0.368 . . . . 0.0 111.78 170.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -53.05 -38.68 62.67 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.751 0.82 . . . . 0.0 112.012 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.22 -52.62 20.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.753 0.821 . . . . 0.0 111.57 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -73.88 -43.9 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.264 1.026 . . . . 0.0 110.864 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -50.79 -37.31 41.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.315 1.046 . . . . 0.0 112.0 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.02 -26.69 66.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -79.06 -39.1 34.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.94 0.791 . . . . 0.0 110.326 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.59 -41.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -78.89 5.03 12.46 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.39 -18.12 49.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.852 0.461 . . . . 0.0 111.612 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.65 46.33 0.09 OUTLIER Glycine 0 C--N 1.338 0.659 0 CA-C-O 119.449 -0.64 . . . . 0.0 114.345 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -176.46 2.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.914 0.857 . . . . 0.0 112.815 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -125.92 178.3 5.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.277 1.431 . . . . 0.0 109.577 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 120.79 1.86 Allowed Pre-proline 0 N--CA 1.454 -0.239 0 C-N-CA 124.35 1.06 . . . . 0.0 111.797 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -56.33 129.48 35.0 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.091 2.527 . . . . 0.0 112.722 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 CA--C 1.529 0.139 0 C-N-CA 126.513 1.925 . . . . 0.0 114.827 172.431 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.15 108.73 19.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 168.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.0 134.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.689 0.795 . . . . 0.0 109.412 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -128.98 135.01 48.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.144 0.978 . . . . 0.0 109.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -93.93 143.8 26.02 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.974 0.51 . . . . 0.0 110.649 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -146.06 124.03 12.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.525 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.3 tptm -76.51 151.81 36.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.85 137.89 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 O-C-N 121.77 -0.581 . . . . 0.0 112.127 -174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.75 -2.97 84.85 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.654 1.121 . . . . 0.0 114.129 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -93.06 174.86 7.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.082 1.441 . . . . 0.0 112.082 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -131.62 161.24 33.16 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mt -141.68 158.56 21.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 128.255 2.622 . . . . 0.0 107.749 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.94 150.55 51.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.238 -0.914 . . . . 0.0 112.243 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -132.21 133.84 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.507 1.123 . . . . 0.0 108.81 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 -140.63 45.09 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.688 0.661 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -116.06 4.27 13.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.751 1.221 . . . . 0.0 111.163 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -125.23 -14.46 6.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -169.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.98 139.36 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 118.873 0.76 . . . . 0.0 111.115 -169.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 50.1 m -122.33 142.79 50.13 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.605 1.162 . . . . 0.0 109.551 171.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 mm -122.97 139.16 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.027 1.331 . . . . 0.0 108.071 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -138.37 133.04 32.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.797 -0.564 . . . . 0.0 110.484 -174.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -90.2 117.46 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.38 -37.86 12.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.097 -0.377 . . . . 0.0 110.198 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.41 -171.8 44.19 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.908 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.76 154.58 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.283 0.633 . . . . 0.0 111.615 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -146.73 110.46 4.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.833 1.253 . . . . 0.0 109.131 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -118.39 8.79 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -98.7 -7.71 27.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -77.08 149.8 35.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.738 0.78 . . . . 0.0 110.924 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -133.44 115.67 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -78.12 105.01 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -108.76 135.73 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 125.433 1.493 . . . . 0.0 108.932 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.98 137.21 14.05 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.65 1.119 . . . . 0.0 112.119 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.25 113.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.021 1.328 . . . . 0.0 107.887 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -122.26 89.98 3.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.687 -168.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.14 158.82 69.85 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.696 1.198 . . . . 0.0 110.142 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.51 150.96 82.96 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.394 2.063 . . . . 0.0 110.806 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.25 -0.9 1.96 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.662 0.785 . . . . 0.0 112.64 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.88 -22.19 66.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.374 1.069 . . . . 0.0 111.336 169.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.77 145.89 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.181 0.993 . . . . 0.0 110.316 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.69 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.611 0.365 . . . . 0.0 111.157 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -137.11 133.51 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -152.4 168.03 26.78 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.572 0.749 . . . . 0.0 110.555 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 27.2 ptt-85 -88.52 157.16 18.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 166.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -58.3 -35.78 72.35 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.241 0.616 . . . . 0.0 112.555 -168.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.2 -19.9 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.517 1.127 . . . . 0.0 113.497 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.41 -36.5 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.869 0.867 . . . . 0.0 110.815 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -51.59 -35.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.592 1.157 . . . . 0.0 112.686 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.16 -29.89 67.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.706 0.802 . . . . 0.0 112.582 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.58 -37.94 83.34 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.498 0.719 . . . . 0.0 111.735 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.454 -0.267 0 O-C-N 122.075 -0.391 . . . . 0.0 109.992 179.226 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -118.28 122.8 43.82 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.856 1.662 . . . . 0.0 108.982 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.61 135.44 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 109.913 -168.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.05 161.29 37.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.046 1.338 . . . . 0.0 111.51 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -105.62 116.98 32.86 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.27 133.73 53.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.564 0.746 . . . . 0.0 109.638 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -86.79 159.18 19.2 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 118.479 0.581 . . . . 0.0 111.356 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.35 137.35 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.2 0.524 . . . . 0.0 111.833 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.31 83.74 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.373 0.987 . . . . 0.0 114.109 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -94.69 175.62 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.879 1.34 . . . . 0.0 112.264 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.4 m -132.73 157.38 45.05 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 39.7 mt -137.73 161.56 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.705 2.402 . . . . 0.0 108.892 -177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.45 150.89 45.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.137 0.975 . . . . 0.0 112.419 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -135.85 139.26 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.815 1.246 . . . . 0.0 109.11 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.58 -136.52 51.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -123.61 9.91 9.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.196 0.998 . . . . 0.0 111.68 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.41 -13.23 2.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.72 137.58 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.678 0.672 . . . . 0.0 110.658 -172.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -122.87 149.85 43.66 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.411 1.084 . . . . 0.0 109.945 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -131.57 144.67 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 125.969 1.707 . . . . 0.0 107.701 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.97 130.16 26.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.17 100.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 171.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -75.45 -31.46 60.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.841 0.456 . . . . 0.0 110.712 -171.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.25 -175.73 41.67 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 121.971 -0.156 . . . . 0.0 113.237 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 m -107.9 156.47 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.654 0.781 . . . . 0.0 109.938 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -140.35 75.88 1.53 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.528 0.731 . . . . 0.0 109.372 169.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.41 -113.41 3.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.478 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.3 mp0 -95.55 -3.72 46.0 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.619 0.767 . . . . 0.0 110.395 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.14 155.92 31.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.579 0.704 . . . . 0.0 111.596 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.66 123.39 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.4 1.48 . . . . 0.0 107.124 168.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -94.49 111.3 23.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.1 124.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.529 0.731 . . . . 0.0 110.092 -169.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.29 139.23 14.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 71.4 mt -129.7 136.43 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -138.08 89.92 2.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.898 -0.501 . . . . 0.0 109.753 -171.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.88 155.63 60.28 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 124.501 1.12 . . . . 0.0 109.839 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.17 150.5 86.55 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.066 1.844 . . . . 0.0 110.488 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.87 -1.06 6.34 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.8 -23.31 66.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.831 1.252 . . . . 0.0 111.515 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.02 159.99 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.271 1.029 . . . . 0.0 110.629 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.87 157.06 17.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.069 0.548 . . . . 0.0 112.117 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 125.24 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 O-C-N 121.953 -0.467 . . . . 0.0 110.67 169.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -148.22 165.99 29.27 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -63.92 154.16 34.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.45 -26.59 68.02 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.584 -0.697 . . . . 0.0 111.651 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.25 -23.76 62.05 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.891 0.876 . . . . 0.0 112.703 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -94.88 -35.83 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.903 1.281 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.59 -40.25 65.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.75 0.82 . . . . 0.0 110.884 173.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.38 -20.99 65.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -81.7 -37.76 26.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.973 0.806 . . . . 0.0 111.37 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 71.4 mt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 -177.638 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.345 0.117 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.68 140.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.987 0.915 . . . . 0.0 109.663 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.61 165.02 25.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.457 1.503 . . . . 0.0 111.28 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.5 103.84 6.64 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 167.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -110.46 128.89 55.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.623 1.569 . . . . 0.0 109.584 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.28 166.37 12.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 119.895 1.225 . . . . 0.0 112.383 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.01 139.35 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.381 -169.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.55 85.14 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.144 0.878 . . . . 0.0 114.146 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -96.55 176.5 6.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.637 1.218 . . . . 0.0 111.593 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -135.27 159.81 40.39 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -138.41 156.37 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 126.895 2.078 . . . . 0.0 108.258 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.71 148.51 51.45 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mt -137.11 135.43 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.741 1.217 . . . . 0.0 109.085 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.73 -139.09 47.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.44 10.05 7.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.962 0.905 . . . . 0.0 112.494 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -125.48 -14.2 6.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.85 135.07 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 119.243 0.929 . . . . 0.0 111.048 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -127.32 143.25 51.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.367 1.067 . . . . 0.0 109.938 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -122.55 140.67 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.982 1.313 . . . . 0.0 108.188 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 44.1 m -135.47 125.26 25.52 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.076 0.55 . . . . 0.0 110.08 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -79.85 103.5 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.03 -34.1 68.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.921 -0.487 . . . . 0.0 110.655 -175.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.15 -170.52 37.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.175 0.417 . . . . 0.0 113.655 169.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -122.8 161.41 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.972 0.909 . . . . 0.0 111.797 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.5 91.61 1.84 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.328 1.051 . . . . 0.0 109.306 169.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -103.02 1.34 Allowed Glycine 0 CA--C 1.525 0.665 0 O-C-N 121.835 -0.541 . . . . 0.0 111.784 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.05 -18.84 16.07 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.436 0.618 . . . . 0.0 112.003 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -70.55 145.73 50.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.93 118.84 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -95.88 122.19 38.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.679 0.791 . . . . 0.0 109.55 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.9 126.89 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.491 0.317 . . . . 0.0 110.889 -167.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.81 140.47 15.91 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.399 0.999 . . . . 0.0 111.413 172.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -130.1 122.41 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 124.979 1.312 . . . . 0.0 108.764 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -122.22 99.02 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 109.276 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.55 71.91 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.283 1.033 . . . . 0.0 110.443 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.59 158.67 40.36 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -71.59 -0.93 11.87 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.518 0.727 . . . . 0.0 112.679 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.01 -23.82 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.83 1.252 . . . . 0.0 112.147 169.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.05 160.99 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.827 0.851 . . . . 0.0 111.111 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.49 155.78 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 124.68 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.127 0.571 . . . . 0.0 109.736 168.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -148.67 170.59 17.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.706 0.802 . . . . 0.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -65.25 157.88 27.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.74 -26.94 68.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.098 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -60.03 -45.25 93.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.957 1.303 . . . . 0.0 111.996 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -84.49 -32.29 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.673 0.789 . . . . 0.0 110.226 -173.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.552 1.141 . . . . 0.0 112.767 179.171 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.21 147.44 25.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.288 0.495 . . . . 0.0 111.6 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.18 126.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.28 149.45 32.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 108.801 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.69 97.0 4.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 168.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.0 51.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.737 0.815 . . . . 0.0 111.163 -174.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -94.91 173.61 7.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -171.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -57.91 138.04 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.101 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -7.75 76.99 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.042 -0.866 . . . . 0.0 114.64 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.86 176.04 9.91 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.177 1.489 . . . . 0.0 112.412 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 33.7 m -146.44 155.1 42.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.041 0.936 . . . . 0.0 111.173 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -135.76 155.99 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 126.292 1.837 . . . . 0.0 108.006 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -130.27 151.85 50.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.254 -0.904 . . . . 0.0 112.501 -176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -136.48 140.87 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.741 1.216 . . . . 0.0 109.152 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.13 -139.27 48.87 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -119.51 10.06 11.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.07 0.948 . . . . 0.0 111.797 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.21 -15.33 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.61 137.09 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.22 0.918 . . . . 0.0 110.903 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -128.41 143.68 51.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.438 1.095 . . . . 0.0 110.65 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.36 138.15 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.961 1.705 . . . . 0.0 108.283 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -136.84 132.21 34.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.825 0.85 . . . . 0.0 109.984 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.54 110.79 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.9 -28.92 55.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.026 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.26 -168.41 30.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 123.826 0.727 . . . . 0.0 113.08 168.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -122.72 158.42 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 C-N-CA 123.598 0.759 . . . . 0.0 111.964 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -143.84 89.97 2.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.023 1.329 . . . . 0.0 109.084 169.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -105.91 1.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.76 -20.11 19.78 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.259 0.529 . . . . 0.0 111.901 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -74.28 143.79 44.87 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.163 0.585 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.06 111.34 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -87.62 124.33 33.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.3 134.13 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.756 0.822 . . . . 0.0 110.101 -168.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.06 137.92 13.68 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.31 138.62 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 109.61 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -127.4 110.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.245 1.018 . . . . 0.0 108.899 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.09 157.87 77.07 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.807 0.843 . . . . 0.0 111.189 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.8 160.59 40.04 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.744 2.296 . . . . 0.0 112.106 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.55 -14.64 44.46 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.77 -14.86 61.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.533 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -128.1 164.93 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.881 0.872 . . . . 0.0 111.025 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.97 14.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.388 0.675 . . . . 0.0 111.517 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.64 119.3 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.367 0.667 . . . . 0.0 109.929 169.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -152.21 173.58 14.81 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.975 0.91 . . . . 0.0 110.225 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -78.01 161.31 27.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.96 -0.463 . . . . 0.0 110.103 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -62.03 -23.48 66.48 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -170.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.6 -47.21 85.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.988 0.915 . . . . 0.0 111.621 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.27 -28.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.703 0.801 . . . . 0.0 110.155 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 123.836 0.854 . . . . 0.0 112.423 175.159 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 109.73 22.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.929 . . . . 0.0 108.934 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.34 133.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 108.949 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.7 mt -131.57 158.82 39.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.507 1.123 . . . . 0.0 109.688 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -122.2 101.02 7.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -95.96 167.4 11.26 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.042 0.537 . . . . 0.0 110.552 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -129.87 156.61 44.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -50.11 122.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 122.664 0.386 . . . . 0.0 110.933 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.27 60.47 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.698 1.142 . . . . 0.0 114.437 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -93.28 167.66 11.6 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.866 1.333 . . . . 0.0 112.107 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -140.37 158.88 43.34 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -124.33 156.37 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 126.66 1.984 . . . . 0.0 108.136 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -125.19 134.01 52.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.797 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -124.02 132.12 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.37 1.068 . . . . 0.0 109.111 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.29 -128.92 33.97 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -125.08 -2.92 7.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.921 0.888 . . . . 0.0 112.496 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.59 -19.77 1.84 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.1 142.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 118.547 0.612 . . . . 0.0 111.101 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -134.14 143.13 47.76 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.365 1.066 . . . . 0.0 109.826 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -125.71 141.74 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.026 1.33 . . . . 0.0 108.221 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -139.49 137.94 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.576 0.626 . . . . 0.0 110.505 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.65 99.69 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -27.07 60.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.804 -0.56 . . . . 0.0 110.58 -175.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.72 -170.5 42.35 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 118.001 0.364 . . . . 0.0 113.833 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.91 156.28 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.033 0.933 . . . . 0.0 111.478 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -140.94 68.57 1.34 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.704 1.201 . . . . 0.0 109.726 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.7 -117.08 5.62 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -83.83 -3.0 57.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.207 0.603 . . . . 0.0 111.985 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -99.72 160.85 13.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.849 0.833 . . . . 0.0 112.723 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -141.28 128.67 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 126.09 1.756 . . . . 0.0 108.403 -170.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -104.09 102.0 11.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.213 1.005 . . . . 0.0 110.111 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.76 131.7 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.0 109.406 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.96 140.2 15.05 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 123.975 0.798 . . . . 0.0 111.62 170.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -116.41 132.38 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.688 1.595 . . . . 0.0 107.9 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -125.31 74.93 1.42 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.169 0.985 . . . . 0.0 109.404 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.31 154.13 39.17 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.925 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -71.93 154.64 58.16 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.486 2.124 . . . . 0.0 110.251 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -69.48 -2.48 11.34 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.65 -25.39 64.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 111.757 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -116.33 143.97 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.869 0.842 . . . . 0.0 111.778 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 142.98 32.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.056 0.942 . . . . 0.0 110.799 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.34 128.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.539 0.336 . . . . 0.0 110.343 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -151.38 -176.0 5.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.523 1.129 . . . . 0.0 110.031 -169.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -130.18 167.15 18.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.18 -26.89 68.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.64 -27.33 67.71 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 112.627 171.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -113.78 -23.66 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.379 1.472 . . . . 0.0 110.829 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 121.519 -0.738 . . . . 0.0 110.497 -174.267 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.638 -0.22 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.2 122.56 44.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.505 1.522 . . . . 0.0 107.661 168.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -120.09 138.82 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 122.887 0.475 . . . . 0.0 111.504 -166.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -133.5 143.37 48.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.576 1.151 . . . . 0.0 110.191 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.7 m -119.74 104.97 10.7 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -130.12 162.49 28.71 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.435 1.094 . . . . 0.0 110.654 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -94.45 167.26 11.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.09 137.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.19 -1.75 82.93 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.073 -0.848 . . . . 0.0 114.283 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.84 158.5 22.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.034 1.417 . . . . 0.0 112.188 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -125.28 142.64 51.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.412 1.085 . . . . 0.0 111.338 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.0 mt -135.63 153.79 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.321 1.448 . . . . 0.0 109.406 -169.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -138.57 144.56 39.89 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.469 -0.769 . . . . 0.0 112.901 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -135.42 128.35 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 124.345 1.058 . . . . 0.0 109.633 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 -139.32 48.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -121.69 4.97 10.04 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.914 0.886 . . . . 0.0 112.647 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -113.74 -22.77 10.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.49 137.04 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 118.97 0.805 . . . . 0.0 111.351 -169.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -132.47 150.54 52.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.882 1.273 . . . . 0.0 109.795 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -130.01 146.42 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 126.141 1.776 . . . . 0.0 107.978 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -140.17 129.09 23.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.055 -0.403 . . . . 0.0 109.956 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -81.61 104.84 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -30.12 59.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.943 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.76 -178.69 34.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 113.378 0.111 . . . . 0.0 113.378 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.85 150.94 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.184 0.594 . . . . 0.0 110.78 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.1 t -133.94 75.18 1.58 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.459 1.104 . . . . 0.0 108.589 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.31 -114.43 3.95 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.04 7.38 43.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.472 0.709 . . . . 0.0 110.946 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -99.03 156.02 17.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.171 0.988 . . . . 0.0 110.258 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.82 114.49 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.556 1.143 . . . . 0.0 108.977 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.42 122.04 31.47 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.41 1.084 . . . . 0.0 109.641 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.98 130.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.184 0.994 . . . . 0.0 109.945 -169.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 138.87 14.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 169.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -123.26 131.09 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.773 0.797 . . . . 0.0 109.058 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -132.23 79.23 1.85 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.765 -167.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.27 156.92 71.7 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 114.097 -1.411 . . . . 0.0 109.762 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.98 154.25 52.1 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.75 1.633 . . . . 0.0 109.766 168.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.21 -0.88 8.71 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.909 0.884 . . . . 0.0 111.562 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.75 -25.71 67.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.101 1.76 . . . . 0.0 111.102 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 m -108.46 144.16 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.371 1.068 . . . . 0.0 109.937 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -85.5 141.73 29.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.292 0.568 . . . . 0.0 111.183 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.82 94.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.094 -166.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.471 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -148.88 159.42 44.2 Favored 'General case' 0 CA--C 1.523 -0.071 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -65.21 158.31 26.49 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.028 0.531 . . . . 0.0 111.636 169.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -49.49 -45.22 46.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.8 0.84 . . . . 0.0 112.453 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.08 -47.92 53.4 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.011 0.524 . . . . 0.0 110.688 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -73.58 -49.3 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 125.031 1.332 . . . . 0.0 110.245 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -51.26 -37.41 47.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.534 1.134 . . . . 0.0 111.676 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -68.92 -26.18 64.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.58 0.752 . . . . 0.0 112.877 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -76.2 -44.09 39.39 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.041 0.837 . . . . 0.0 109.742 171.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.2 -38.32 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.235 0.614 . . . . 0.0 109.478 -173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -81.48 0.34 38.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.88 -18.71 58.16 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.23 0.612 . . . . 0.0 111.651 169.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.9 50.61 0.1 Allowed Glycine 0 C--N 1.337 0.635 0 C-N-CA 123.597 0.618 . . . . 0.0 113.547 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.52 -176.78 2.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.515 0.657 . . . . 0.0 112.307 -168.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 52.7 p -130.95 -173.55 3.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.951 1.3 . . . . 0.0 109.518 168.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.55 122.95 3.62 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.799 0.84 . . . . 0.0 111.217 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -52.88 -41.5 70.23 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.994 3.129 . . . . 0.0 113.861 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 123.239 0.616 . . . . 0.0 110.677 -169.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpp . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 110.94 21.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.02 135.18 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.744 0.818 . . . . 0.0 109.846 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.46 134.97 50.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.969 0.908 . . . . 0.0 108.939 168.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -90.37 145.96 24.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.06 123.83 11.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.943 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.8 tptm -75.18 151.55 38.49 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m -58.24 137.91 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.439 -0.788 . . . . 0.0 112.057 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -5.1 84.88 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.932 1.253 . . . . 0.0 114.315 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -88.4 176.51 7.16 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.465 1.633 . . . . 0.0 112.075 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -133.24 160.59 36.84 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -141.28 156.47 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.193 2.197 . . . . 0.0 108.62 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -128.53 148.79 50.78 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.752 1.221 . . . . 0.0 111.929 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.22 138.22 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.897 1.279 . . . . 0.0 109.318 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.7 -136.2 50.05 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.21 10.04 8.04 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.257 1.023 . . . . 0.0 111.454 168.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.55 -16.72 6.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.729 1.211 . . . . 0.0 113.128 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.49 138.1 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.949 0.795 . . . . 0.0 111.411 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 18.5 m -126.09 144.24 50.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.827 1.251 . . . . 0.0 109.513 173.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -124.53 140.55 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.012 1.325 . . . . 0.0 108.471 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -135.06 128.61 32.6 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.685 0.394 . . . . 0.0 110.565 -176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.73 114.81 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.6 mt -88.57 -38.79 14.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.943 -0.473 . . . . 0.0 109.853 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.0 -174.84 43.54 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.335 -0.459 . . . . 0.0 114.215 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.4 151.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.445 0.698 . . . . 0.0 111.68 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -144.63 107.97 4.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 109.082 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -96.5 -7.1 35.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -79.98 155.01 27.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.966 0.889 . . . . 0.0 111.678 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -139.93 115.62 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -79.7 112.26 16.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 mt -117.66 128.03 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.964 1.306 . . . . 0.0 109.893 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.55 143.58 16.8 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.292 0.948 . . . . 0.0 112.403 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -129.98 122.24 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 125.109 1.363 . . . . 0.0 108.521 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -121.55 98.1 5.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.232 0.613 . . . . 0.0 109.981 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.77 157.05 79.25 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.431 1.092 . . . . 0.0 109.821 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -62.82 151.8 82.16 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.377 2.051 . . . . 0.0 110.827 170.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.6 -1.05 4.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 172.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.94 -19.96 66.04 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.804 1.241 . . . . 0.0 111.443 168.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.82 148.78 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.118 0.967 . . . . 0.0 110.74 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.51 156.94 19.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.768 0.427 . . . . 0.0 111.415 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.56 134.96 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.366 0.666 . . . . 0.0 109.324 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -154.64 162.98 40.89 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 123.326 0.65 . . . . 0.0 111.458 -174.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -72.9 154.52 40.54 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 165.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.86 -30.05 71.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.101 0.864 . . . . 0.0 111.669 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.93 -24.82 63.42 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.2 -36.4 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.628 0.771 . . . . 0.0 110.369 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -54.31 -37.82 65.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.414 1.086 . . . . 0.0 112.068 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.62 -22.34 66.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.299 0.64 . . . . 0.0 112.607 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -72.6 -40.76 66.28 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.756 171.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.013 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' D' ' 3' ' ' ILE . 1.8 ttp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.803 -0.073 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.01 116.36 31.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.585 1.554 . . . . 0.0 108.746 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.404 ' CD1' ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -103.14 131.08 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.965 1.306 . . . . 0.0 108.845 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 41.2 mt -115.92 172.89 6.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.905 1.282 . . . . 0.0 110.01 172.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -132.23 109.82 10.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.683 169.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -121.81 137.94 54.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.835 1.654 . . . . 0.0 109.167 -169.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -101.11 163.67 12.17 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 120.454 1.479 . . . . 0.0 113.717 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.41 137.28 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.613 -169.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.54 86.94 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.525 1.059 . . . . 0.0 114.121 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -87.99 175.97 7.53 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.87 1.335 . . . . 0.0 111.864 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -136.34 163.27 30.82 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -150.96 159.42 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 127.99 2.516 . . . . 0.0 108.398 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -138.62 153.0 48.6 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.035 0.934 . . . . 0.0 112.635 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -133.66 139.14 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.889 1.275 . . . . 0.0 108.988 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.32 -134.54 52.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.53 9.97 5.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.348 1.059 . . . . 0.0 112.451 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.03 -13.16 5.17 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.21 137.44 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.019 0.827 . . . . 0.0 110.965 -169.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -121.7 145.49 47.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.645 1.178 . . . . 0.0 109.755 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -129.12 139.68 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 108.203 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -137.34 130.75 31.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.755 0.422 . . . . 0.0 110.003 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.97 87.62 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.0 -29.25 69.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.801 -0.562 . . . . 0.0 112.02 -168.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.5 40.04 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 118.168 0.44 . . . . 0.0 113.764 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.18 159.14 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.332 0.653 . . . . 0.0 110.902 169.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -144.83 76.04 1.48 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.874 0.87 . . . . 0.0 109.035 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.33 -116.78 4.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.484 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.4 mp0 -91.93 -9.3 43.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.505 172.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.58 157.4 35.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 121.584 0.706 . . . . 0.0 111.706 169.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -134.81 125.08 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 114.196 -1.365 . . . . 0.0 108.462 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -81.47 114.65 20.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 168.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -116.17 122.45 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 123.655 0.782 . . . . 0.0 108.938 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.1 131.15 10.5 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.68 139.99 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.999 0.92 . . . . 0.0 108.812 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.11 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.657 0.783 . . . . 0.0 109.154 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.46 157.81 55.34 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 124.823 1.249 . . . . 0.0 109.64 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.31 151.06 84.68 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.013 1.808 . . . . 0.0 110.513 169.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.39 -1.0 7.23 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.09 -23.17 66.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.744 1.218 . . . . 0.0 111.534 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.12 159.67 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.167 0.987 . . . . 0.0 110.902 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.11 157.08 16.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.485 0.714 . . . . 0.0 112.251 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.84 125.28 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 168.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -148.58 165.37 31.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.332 0.653 . . . . 0.0 111.616 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -65.58 157.93 28.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.107 0.563 . . . . 0.0 110.566 169.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.41 -40.49 96.68 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.37 -0.831 . . . . 0.0 111.7 -176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -70.4 -9.07 55.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.02 -44.76 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.588 1.155 . . . . 0.0 110.799 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -45.36 -37.72 5.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.446 1.898 . . . . 0.0 112.658 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -57.89 -21.03 41.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.857 1.263 . . . . 0.0 113.68 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -50.58 10.74 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 119.053 0.842 . . . . 0.0 110.544 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 125.232 1.413 . . . . 0.0 111.852 -175.365 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.84 142.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.323 1.049 . . . . 0.0 110.385 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -139.64 159.8 41.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.373 1.469 . . . . 0.0 110.871 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -127.48 106.2 9.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 165.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -104.94 162.24 13.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.233 1.813 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -111.68 171.68 7.35 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 168.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.22 140.27 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.035 0.445 . . . . 0.0 112.136 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.94 -5.89 84.15 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.157 0.884 . . . . 0.0 114.793 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -90.51 170.42 10.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.083 1.442 . . . . 0.0 112.799 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 67.1 m -131.53 151.67 51.38 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.795 0.838 . . . . 0.0 112.366 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mt -131.32 151.74 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.876 2.07 . . . . 0.0 107.999 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.44 146.03 47.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.257 0.623 . . . . 0.0 111.152 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -133.18 133.38 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.587 1.155 . . . . 0.0 108.942 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -132.78 52.73 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.96 10.03 5.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.723 0.809 . . . . 0.0 112.65 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -125.11 -13.54 6.76 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.59 133.98 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.107 0.867 . . . . 0.0 110.873 -171.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -124.07 142.34 51.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.379 1.072 . . . . 0.0 109.97 173.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mm -121.88 134.83 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.695 1.198 . . . . 0.0 108.388 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 17.4 m -133.69 130.98 38.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.274 0.63 . . . . 0.0 110.245 -171.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -89.23 114.45 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 O-C-N 121.891 -0.506 . . . . 0.0 109.676 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.66 -32.36 31.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.559 0.344 . . . . 0.0 110.298 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.55 178.9 28.53 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.073 0.368 . . . . 0.0 113.696 168.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.91 153.81 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.57 0.748 . . . . 0.0 112.171 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -143.42 89.9 2.12 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.023 1.329 . . . . 0.0 108.581 169.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.49 -113.65 6.07 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.843 -0.536 . . . . 0.0 111.765 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.02 -21.42 21.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 117.576 0.688 . . . . 0.0 111.828 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -74.52 143.92 44.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 109.821 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.46 116.52 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -89.06 119.22 29.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.27 134.08 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.277 1.031 . . . . 0.0 110.177 -168.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.3 144.77 17.44 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.408 1.004 . . . . 0.0 111.883 171.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.97 123.81 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.009 1.324 . . . . 0.0 108.91 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -123.7 99.1 6.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.022 0.529 . . . . 0.0 109.613 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.0 76.55 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.331 1.052 . . . . 0.0 110.435 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.97 158.67 32.85 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.67 2.247 . . . . 0.0 111.904 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -68.5 -0.88 5.54 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.498 0.719 . . . . 0.0 112.471 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.98 -25.31 67.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.176 1.39 . . . . 0.0 111.761 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.42 156.1 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.117 0.967 . . . . 0.0 110.879 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.73 156.36 19.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.53 171.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.51 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.868 0.467 . . . . 0.0 110.561 169.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -154.52 168.64 26.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.168 0.987 . . . . 0.0 110.876 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -67.51 161.76 24.79 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.951 -0.468 . . . . 0.0 109.753 167.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.0 -40.92 77.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.348 1.059 . . . . 0.0 111.505 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -91.1 -35.99 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.992 0.917 . . . . 0.0 110.181 -173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 125.009 1.323 . . . . 0.0 112.821 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.836 -0.061 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.33 149.82 21.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.713 0.405 . . . . 0.0 111.385 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.47 134.84 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.848 0.859 . . . . 0.0 108.691 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.09 164.98 23.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.366 1.467 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.39 101.08 6.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -106.16 133.72 50.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.13 1.372 . . . . 0.0 111.14 -176.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -94.89 164.69 12.81 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.319 0.963 . . . . 0.0 113.311 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.36 135.04 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.285 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.96 -6.4 69.42 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.438 1.018 . . . . 0.0 114.113 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -99.94 162.79 12.77 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.953 1.377 . . . . 0.0 111.792 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 44.9 m -128.85 156.21 44.0 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -136.69 159.18 37.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 127.056 2.143 . . . . 0.0 108.131 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.43 148.03 51.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.869 0.868 . . . . 0.0 111.884 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -136.5 139.02 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.452 1.101 . . . . 0.0 109.279 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.35 -138.25 48.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -120.56 10.04 11.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.858 0.863 . . . . 0.0 111.849 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.66 -17.95 1.45 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.53 137.7 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.063 0.847 . . . . 0.0 110.645 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -128.47 141.6 51.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.251 1.021 . . . . 0.0 109.994 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.03 141.76 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.599 1.56 . . . . 0.0 108.156 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 60.3 m -137.51 130.41 30.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.943 0.497 . . . . 0.0 110.31 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.07 109.9 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -82.41 -27.94 31.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.535 0.734 . . . . 0.0 111.175 -172.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.93 -173.14 35.19 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.07 0.367 . . . . 0.0 113.468 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.99 157.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.457 0.703 . . . . 0.0 112.394 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -150.04 90.08 1.65 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.15 1.38 . . . . 0.0 109.404 168.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.28 -103.33 1.69 Allowed Glycine 0 CA--C 1.525 0.659 0 O-C-N 121.841 -0.537 . . . . 0.0 111.767 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -99.03 -16.32 18.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 117.903 0.851 . . . . 0.0 110.936 168.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -70.57 143.74 51.47 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.529 0.681 . . . . 0.0 109.499 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 63.1 t -141.1 105.94 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -84.95 127.11 34.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -133.24 138.45 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.758 0.823 . . . . 0.0 110.117 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.89 138.28 14.77 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.34 144.93 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.255 1.022 . . . . 0.0 109.297 172.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -133.75 108.77 8.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.044 0.938 . . . . 0.0 108.945 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.38 158.46 74.47 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.017 0.927 . . . . 0.0 111.182 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.87 159.67 40.86 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.718 2.279 . . . . 0.0 111.977 172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.08 -17.13 23.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.359 1.063 . . . . 0.0 113.305 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -10.49 59.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.178 1.391 . . . . 0.0 112.271 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -128.74 163.15 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.039 0.935 . . . . 0.0 110.795 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.552 0.741 . . . . 0.0 111.32 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.89 122.32 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.14 0.576 . . . . 0.0 110.722 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -151.29 172.5 15.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.079 0.952 . . . . 0.0 110.651 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.56 154.19 42.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.55 -25.36 67.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.082 0.553 . . . . 0.0 111.899 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -56.56 -46.86 80.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.476 1.11 . . . . 0.0 111.485 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.83 -33.02 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.014 0.925 . . . . 0.0 110.282 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 124.374 1.069 . . . . 0.0 112.333 176.335 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 110.73 23.02 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.685 0.794 . . . . 0.0 109.454 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.68 135.66 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.575 0.75 . . . . 0.0 109.246 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.83 152.03 51.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.503 1.121 . . . . 0.0 109.635 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -113.48 100.94 8.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 135.14 54.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.561 0.744 . . . . 0.0 110.451 -168.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.58 154.08 18.86 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.3 t -48.4 125.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.148 0.579 . . . . 0.0 111.005 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.98 -2.87 61.96 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 114.36 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -100.44 170.2 8.57 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.825 1.312 . . . . 0.0 111.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -136.21 150.4 48.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.4 mm -109.06 154.11 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 125.571 1.548 . . . . 0.0 109.53 169.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -126.18 137.2 53.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.641 1.176 . . . . 0.0 109.967 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mt -131.64 131.26 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.861 0.864 . . . . 0.0 109.648 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.35 -126.42 28.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -129.99 -0.82 4.7 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.128 0.971 . . . . 0.0 111.922 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -137.98 -9.16 1.57 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -168.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -113.9 142.27 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.831 0.852 . . . . 0.0 110.443 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m -140.84 150.42 43.26 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.967 0.907 . . . . 0.0 109.168 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -132.48 143.21 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.733 1.213 . . . . 0.0 108.371 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 m -137.97 132.85 32.93 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.636 0.653 . . . . 0.0 110.823 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.2 96.62 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 169.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.85 -28.9 66.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 122.016 -0.428 . . . . 0.0 110.404 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.08 -167.97 41.0 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.309 0.481 . . . . 0.0 113.382 170.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.64 148.42 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.628 0.771 . . . . 0.0 111.133 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -140.72 61.08 1.51 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.819 1.247 . . . . 0.0 110.216 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.43 -122.05 6.3 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -76.27 -10.52 59.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.224 0.609 . . . . 0.0 111.441 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -98.96 158.1 15.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.52 0.676 . . . . 0.0 111.771 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -139.81 135.99 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.536 1.534 . . . . 0.0 109.188 -169.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.1 101.91 10.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.987 0.915 . . . . 0.0 109.558 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -121.02 136.3 58.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.087 0 C-N-CA 123.729 0.812 . . . . 0.0 111.116 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.39 146.4 18.17 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.584 1.088 . . . . 0.0 112.206 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -112.93 137.98 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.801 1.64 . . . . 0.0 108.427 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -124.04 74.99 1.33 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.721 1.208 . . . . 0.0 109.416 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.51 154.18 45.59 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.69 174.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.67 157.9 43.82 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.64 2.227 . . . . 0.0 110.741 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -68.67 -1.59 7.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.99 -30.95 71.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.792 0.837 . . . . 0.0 111.495 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.98 143.87 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.845 0.831 . . . . 0.0 111.513 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 141.98 28.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.926 0.89 . . . . 0.0 110.563 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 m -133.61 123.83 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.73 0.412 . . . . 0.0 109.982 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -152.21 159.34 43.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.791 0.436 . . . . 0.0 111.429 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -79.64 152.65 29.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.525 0.73 . . . . 0.0 112.295 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.23 -39.18 91.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.36 0.93 15.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.03 -26.03 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 125.12 1.368 . . . . 0.0 111.175 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.453 -0.282 0 O-C-N 121.501 -0.75 . . . . 0.0 110.43 178.21 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 tpp . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.97 119.86 39.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 168.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.0 mt -119.19 142.72 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.78 0.432 . . . . 0.0 111.994 -166.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.47 149.51 52.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.598 1.159 . . . . 0.0 110.468 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.1 m -112.09 103.72 11.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 169.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -110.26 173.0 6.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.741 0.817 . . . . 0.0 109.933 -171.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -118.76 163.32 17.04 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.598 0.359 . . . . 0.0 111.754 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.21 125.13 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.567 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.29 -6.25 55.85 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.84 -0.978 . . . . 0.0 115.211 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.27 155.48 36.65 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 119.548 1.674 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -131.25 146.58 52.37 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.309 1.044 . . . . 0.0 111.324 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.4 mm -135.27 154.26 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 126.563 1.945 . . . . 0.0 109.137 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -127.87 144.85 51.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.446 1.099 . . . . 0.0 110.997 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.37 129.35 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.501 1.121 . . . . 0.0 109.357 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -134.34 52.46 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.01 5.07 6.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.772 0.829 . . . . 0.0 112.835 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -115.23 -20.09 10.52 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.25 137.25 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 119.024 0.829 . . . . 0.0 111.286 -169.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -133.33 149.45 51.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.864 1.265 . . . . 0.0 109.932 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.16 144.49 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.273 1.829 . . . . 0.0 108.001 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -141.04 134.06 29.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.906 0.482 . . . . 0.0 110.516 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.75 116.76 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 169.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -84.29 -32.96 24.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.081 -0.387 . . . . 0.0 111.037 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.3 35.79 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 122.58 0.134 . . . . 0.0 112.91 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -109.97 148.81 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.195 0.521 . . . . 0.0 110.74 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -130.29 73.28 1.52 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.936 1.294 . . . . 0.0 108.582 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.67 -113.15 3.67 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.446 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.44 13.73 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.249 0.547 . . . . 0.0 111.678 170.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -99.0 156.09 17.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.308 1.043 . . . . 0.0 109.199 168.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -137.79 118.95 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.08 118.32 27.57 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.487 1.115 . . . . 0.0 109.712 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.09 136.45 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.559 1.143 . . . . 0.0 109.877 -169.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.28 141.22 15.18 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 123.758 0.694 . . . . 0.0 111.859 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -124.17 132.98 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 109.447 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 75.92 1.65 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.807 -168.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.01 158.14 53.29 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.525 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' B' ' 39' ' ' ASP . 31.6 Cg_endo -60.79 155.67 47.66 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.761 1.641 . . . . 0.0 109.877 168.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -0.83 8.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 122.043 0.925 . . . . 0.0 112.094 173.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 37' ' ' PRO . 2.6 t70 -65.83 -22.99 66.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.991 1.716 . . . . 0.0 110.897 172.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.32 144.09 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.64 1.176 . . . . 0.0 109.753 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.01 140.96 29.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.342 0.592 . . . . 0.0 111.253 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 t -142.51 98.36 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.254 -166.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.452 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -148.78 158.63 44.29 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.793 0.437 . . . . 0.0 111.978 179.142 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 33.0 ptt-85 -64.66 157.57 26.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.23 0.612 . . . . 0.0 111.434 169.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -55.67 -40.92 72.93 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.224 0.61 . . . . 0.0 112.633 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.77 -19.57 65.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -89.96 -49.44 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.325 0.65 . . . . 0.0 110.51 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.51 -42.01 22.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.618 0.767 . . . . 0.0 111.024 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.33 -10.18 56.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -91.97 -28.81 16.99 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 119.309 0.958 . . . . 0.0 112.49 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.81 -62.05 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.696 0.798 . . . . 0.0 112.698 -166.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.59 1.57 1.2 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -19.17 60.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.325 170.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.0 29.07 0.05 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.054 -0.859 . . . . 0.0 115.101 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -168.97 -172.95 1.68 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.524 1.162 . . . . 0.0 112.847 -167.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 22.1 p -130.45 -171.74 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.86 1.264 . . . . 0.0 108.902 167.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.07 125.61 2.06 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 112.042 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.36 -175.31 0.52 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.072 2.514 . . . . 0.0 113.099 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.097 0.959 . . . . 0.0 112.466 171.409 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 107.26 14.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 134.88 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.724 0.81 . . . . 0.0 109.521 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.55 134.97 48.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.022 0.929 . . . . 0.0 109.316 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.5 p -92.47 141.13 28.85 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.202 169.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -136.72 144.24 43.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.998 0.519 . . . . 0.0 110.209 171.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.488 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.4 tptm -82.28 156.88 24.08 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 167.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.01 134.12 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 O-C-N 121.582 -0.699 . . . . 0.0 111.527 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.78 81.0 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.543 1.068 . . . . 0.0 114.441 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -89.1 175.3 7.44 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.235 1.517 . . . . 0.0 112.495 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -135.06 157.79 46.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mt -139.75 159.24 27.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 127.814 2.446 . . . . 0.0 107.94 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.83 149.36 52.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.235 1.014 . . . . 0.0 112.298 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.82 141.99 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.639 1.176 . . . . 0.0 109.044 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.24 -136.72 50.72 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.808 0.718 . . . . 0.0 111.739 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -122.83 9.98 9.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.257 1.023 . . . . 0.0 111.274 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -132.25 -10.72 3.29 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.39 136.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 118.698 0.681 . . . . 0.0 110.921 -170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -124.57 138.52 54.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.577 1.151 . . . . 0.0 109.282 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.04 137.96 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.539 1.136 . . . . 0.0 108.384 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -132.23 130.94 41.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.671 0.389 . . . . 0.0 110.505 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -84.38 114.61 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 168.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.02 -34.32 16.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -174.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.64 -179.47 39.95 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 113.668 0.227 . . . . 0.0 113.668 168.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.02 154.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.67 0.788 . . . . 0.0 110.259 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -149.0 104.63 3.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -127.51 26.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.05 -0.38 55.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.995 0.918 . . . . 0.0 112.352 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.04 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.61 0.764 . . . . 0.0 110.664 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -135.15 122.28 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.2 1.0 . . . . 0.0 108.653 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -81.44 114.47 20.2 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.84 131.78 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.63 1.172 . . . . 0.0 109.612 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.0 137.99 14.23 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.17 0.89 . . . . 0.0 112.41 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.18 113.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.676 1.19 . . . . 0.0 108.766 176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -102.89 93.47 5.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.308 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.87 71.09 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.797 0.839 . . . . 0.0 110.52 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -61.89 153.77 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.926 2.417 . . . . 0.0 111.439 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.07 -0.74 2.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.93 -28.45 68.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.849 0.86 . . . . 0.0 110.92 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -105.62 140.02 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.604 0.762 . . . . 0.0 110.286 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 154.98 21.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -139.7 123.57 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.56 169.46 21.47 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -72.29 156.09 39.48 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.52 -35.78 74.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.696 0.68 . . . . 0.0 111.44 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.41 -23.82 62.82 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -92.1 -36.12 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.629 0.771 . . . . 0.0 110.393 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.16 -35.81 60.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.991 1.316 . . . . 0.0 112.372 -176.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -58.62 -30.02 66.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.883 0.873 . . . . 0.0 112.243 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.27 -37.44 80.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.621 0.769 . . . . 0.0 111.856 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.254 0 O-C-N 121.941 -0.474 . . . . 0.0 109.827 178.675 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -106.29 112.24 25.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.48 1.112 . . . . 0.0 108.741 168.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.97 131.36 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.331 1.052 . . . . 0.0 109.128 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 29.4 mt -117.99 171.76 7.86 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.564 1.145 . . . . 0.0 110.25 172.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 109.77 10.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.234 169.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -117.4 132.11 56.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.667 1.187 . . . . 0.0 109.362 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -75.77 155.48 35.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.012 0.824 . . . . 0.0 110.819 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -54.37 137.96 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.507 171.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.78 86.72 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.535 1.064 . . . . 0.0 114.072 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -94.3 178.98 5.45 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.982 1.391 . . . . 0.0 112.241 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 65.2 m -135.04 158.97 42.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 50.9 mt -143.36 161.5 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.998 2.519 . . . . 0.0 108.368 -173.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -140.31 152.56 45.95 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.865 0.866 . . . . 0.0 112.522 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -135.93 142.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.74 1.216 . . . . 0.0 109.295 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.29 -138.27 49.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -123.39 9.91 9.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.274 1.029 . . . . 0.0 111.286 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.65 -11.29 3.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.927 0.891 . . . . 0.0 113.37 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.66 137.5 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.758 0.708 . . . . 0.0 110.591 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -122.57 149.2 44.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.471 1.108 . . . . 0.0 109.859 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -132.53 140.3 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.463 1.505 . . . . 0.0 107.871 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.56 129.19 26.3 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.54 87.63 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.73 -32.23 73.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.737 -0.602 . . . . 0.0 111.43 -169.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.65 -167.99 40.34 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 120.674 -0.774 . . . . 0.0 114.19 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -139.57 134.36 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.963 1.305 . . . . 0.0 110.138 -170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -144.26 100.56 3.56 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.976 0.91 . . . . 0.0 109.448 -171.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.2 -119.35 15.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.488 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -100.49 -3.36 30.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.594 0.757 . . . . 0.0 111.286 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -77.35 156.67 31.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.656 0.741 . . . . 0.0 112.026 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -136.19 125.06 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 114.381 -1.281 . . . . 0.0 108.376 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -83.14 114.26 21.2 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.114 0.566 . . . . 0.0 109.586 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -118.1 116.63 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.731 0.812 . . . . 0.0 109.389 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.79 135.47 12.87 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.089 0.852 . . . . 0.0 111.048 174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.87 138.82 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.015 0.926 . . . . 0.0 108.733 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.03 90.03 2.45 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.779 -0.576 . . . . 0.0 109.84 -173.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.79 157.92 55.9 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.413 1.085 . . . . 0.0 109.944 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 154.01 72.09 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.41 2.073 . . . . 0.0 110.905 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.53 -0.93 9.47 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.0 -20.91 66.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.337 1.055 . . . . 0.0 111.047 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -128.03 159.93 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.356 1.062 . . . . 0.0 110.862 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.49 157.1 16.67 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.448 0.699 . . . . 0.0 112.084 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.68 126.15 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 O-C-N 122.043 -0.411 . . . . 0.0 110.085 168.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -149.81 165.13 33.41 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.444 0.698 . . . . 0.0 111.824 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -62.51 157.81 19.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.898 0.479 . . . . 0.0 109.987 168.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -58.11 -38.01 75.67 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.748 0.419 . . . . 0.0 111.421 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.84 -19.8 64.27 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.869 0.868 . . . . 0.0 113.275 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mm -98.64 -41.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.424 1.09 . . . . 0.0 111.061 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -47.08 -39.51 13.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.6 1.56 . . . . 0.0 112.392 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -57.87 -21.0 40.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.706 1.202 . . . . 0.0 113.631 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -87.0 -44.35 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.904 0.881 . . . . 0.0 110.564 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 124.228 1.011 . . . . 0.0 111.242 178.699 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.77 138.1 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.142 0.977 . . . . 0.0 109.742 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -132.39 164.32 26.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.613 1.565 . . . . 0.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -137.54 99.17 3.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 168.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -114.6 143.38 45.1 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.584 1.154 . . . . 0.0 112.616 -168.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -83.2 159.51 21.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.231 0.613 . . . . 0.0 111.48 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -59.95 136.31 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.365 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.35 85.14 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.289 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.31 165.36 14.45 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 119.034 1.417 . . . . 0.0 111.786 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -131.94 157.4 44.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.547 0.689 . . . . 0.0 112.352 -169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 35.2 mt -141.88 157.61 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 126.062 1.745 . . . . 0.0 108.113 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.88 148.76 44.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -137.51 139.31 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.915 1.286 . . . . 0.0 109.186 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.26 -134.79 48.37 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.33 9.95 6.73 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.032 0.933 . . . . 0.0 111.727 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.66 -5.59 1.97 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -170.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.84 135.76 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 118.908 0.776 . . . . 0.0 110.778 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -129.08 143.22 50.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.146 . . . . 0.0 109.971 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -123.02 142.15 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.53 1.532 . . . . 0.0 107.991 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -138.96 128.58 24.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.782 0.433 . . . . 0.0 110.216 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -76.74 112.5 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.3 -34.54 48.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.545 0.338 . . . . 0.0 110.357 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.55 -177.5 35.16 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.257 0.456 . . . . 0.0 113.199 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.55 157.83 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.372 0.669 . . . . 0.0 112.256 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.02 95.46 2.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.602 1.161 . . . . 0.0 109.078 169.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.75 -117.8 8.46 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.43 -21.05 22.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.35 0.575 . . . . 0.0 111.558 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.63 142.29 42.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.673 0.749 . . . . 0.0 110.75 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.84 115.25 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -172.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -87.98 122.25 31.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -129.45 130.69 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.871 0.869 . . . . 0.0 110.448 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 143.34 16.63 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.354 0.978 . . . . 0.0 111.83 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.6 mt -134.03 128.32 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.192 1.397 . . . . 0.0 108.834 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.9 100.8 5.81 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 155.3 74.7 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.493 1.117 . . . . 0.0 110.548 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.99 157.12 45.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.838 2.358 . . . . 0.0 112.031 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.98 -0.9 10.35 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.03 -23.46 66.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.53 1.132 . . . . 0.0 111.848 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -120.78 158.32 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.069 0.948 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 158.05 15.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.072 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.0 125.9 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.928 0.491 . . . . 0.0 110.201 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -150.45 168.55 23.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.379 1.072 . . . . 0.0 110.125 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -75.78 161.81 28.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.498 0.59 . . . . 0.0 109.581 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -61.59 -21.66 64.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.051 0.54 . . . . 0.0 112.195 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.53 -45.87 74.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.233 1.013 . . . . 0.0 111.455 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -29.67 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.636 0.775 . . . . 0.0 110.014 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 O-C-N 121.926 -0.484 . . . . 0.0 111.983 176.094 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.942 -0.075 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.57 150.02 20.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.093 -0.38 . . . . 0.0 111.511 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.84 134.27 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -126.56 163.22 23.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.079 . . . . 0.0 109.72 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.61 97.6 5.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 109.701 169.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.89 132.39 51.19 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.612 1.565 . . . . 0.0 109.404 -171.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -97.15 165.39 12.08 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 119.677 1.126 . . . . 0.0 112.927 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -56.09 136.2 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.504 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.1 80.35 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.314 0.959 . . . . 0.0 114.165 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -94.0 167.65 11.46 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.613 1.207 . . . . 0.0 111.697 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -131.6 157.19 44.3 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -169.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 47.8 mt -139.13 156.53 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.323 1.849 . . . . 0.0 108.256 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -128.64 149.29 50.72 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.614 0.766 . . . . 0.0 112.261 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -135.44 144.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.781 1.233 . . . . 0.0 109.045 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.51 -132.1 51.49 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -129.13 9.95 5.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.431 0.692 . . . . 0.0 111.837 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -136.22 -10.66 1.96 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -170.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.66 137.66 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.609 0.64 . . . . 0.0 110.345 -174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -125.98 141.45 51.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 110.004 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.1 140.01 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.357 1.463 . . . . 0.0 108.405 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -133.75 129.42 36.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.402 0.681 . . . . 0.0 109.912 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.89 108.45 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.67 -28.45 36.78 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.134 0.573 . . . . 0.0 111.129 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -176.31 32.81 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 123.53 0.586 . . . . 0.0 112.92 169.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.37 154.04 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.162 0.585 . . . . 0.0 111.816 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -147.24 90.0 1.84 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.816 1.246 . . . . 0.0 108.707 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.03 -126.39 34.0 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -79.43 -16.72 55.67 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.05 141.92 30.81 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.583 0.706 . . . . 0.0 110.446 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.6 t -128.73 119.78 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -87.0 126.91 35.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.468 0.707 . . . . 0.0 109.303 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -134.58 142.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 124.037 0.935 . . . . 0.0 110.162 -168.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.08 138.53 13.59 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.101 0.858 . . . . 0.0 111.189 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.4 mt -126.4 137.47 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.212 1.005 . . . . 0.0 109.259 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -133.53 105.59 6.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.576 0.75 . . . . 0.0 109.674 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.4 158.85 74.12 Favored Pre-proline 0 N--CA 1.454 -0.225 0 C-N-CA 124.19 0.996 . . . . 0.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.28 162.21 31.08 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.928 2.419 . . . . 0.0 112.131 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.81 -13.11 29.42 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.126 0.97 . . . . 0.0 112.464 169.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.98 -19.55 66.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.497 1.519 . . . . 0.0 112.309 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -130.67 160.56 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.15 0.98 . . . . 0.0 110.929 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.44 162.89 13.47 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.127 0.571 . . . . 0.0 111.244 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.05 125.91 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.529 0.732 . . . . 0.0 110.26 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -153.65 177.08 11.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.211 1.004 . . . . 0.0 110.244 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -80.85 163.97 23.02 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.731 -0.605 . . . . 0.0 110.178 169.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.49 -29.01 68.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.089 0.556 . . . . 0.0 112.46 -169.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.32 -53.58 56.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.451 0.701 . . . . 0.0 110.966 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -78.29 -31.62 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.361 0.664 . . . . 0.0 109.986 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 . . . . . 0 N--CA 1.453 -0.293 0 C-N-CA 124.258 1.023 . . . . 0.0 112.772 176.481 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.56 109.43 21.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.172 0.589 . . . . 0.0 109.816 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -91.0 140.58 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.251 0.621 . . . . 0.0 110.124 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -133.3 147.78 51.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.864 0.866 . . . . 0.0 108.732 167.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -120.18 100.81 7.41 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -125.95 153.66 43.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.297 0.57 . . . . 0.0 110.611 -169.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -105.03 159.82 15.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.415 1.086 . . . . 0.0 110.512 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.2 120.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 110.637 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.39 -4.22 56.81 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.528 1.061 . . . . 0.0 114.582 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -94.4 162.96 13.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 119.035 1.417 . . . . 0.0 112.146 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -132.13 147.77 52.45 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -168.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.7 mm -111.39 157.55 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 125.784 1.634 . . . . 0.0 110.055 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -134.37 140.14 46.11 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.951 0.901 . . . . 0.0 111.108 174.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 mt -140.08 125.29 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.555 1.142 . . . . 0.0 110.749 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.3 -121.64 23.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.869 1.107 . . . . 0.0 115.869 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.03 -3.74 46.68 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -165.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 152.48 5.65 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 128.148 2.579 . . . . 0.0 112.129 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.97 126.42 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 120.889 -1.132 . . . . 0.0 109.01 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -118.93 133.08 56.06 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -112.93 143.92 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -136.14 133.13 36.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.187 0.595 . . . . 0.0 110.003 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.2 100.04 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.418 -1.326 . . . . 0.0 107.418 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -30.74 61.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.81 -0.556 . . . . 0.0 111.293 -169.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.73 -170.38 43.48 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.992 0.36 . . . . 0.0 113.593 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.39 146.94 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.927 0.891 . . . . 0.0 111.051 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 m -141.72 60.94 1.47 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.636 1.174 . . . . 0.0 110.412 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.6 -126.21 7.78 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -76.97 -14.71 59.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.272 0.629 . . . . 0.0 111.672 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -99.76 151.7 20.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.4 t -133.07 139.18 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 127.977 2.511 . . . . 0.0 108.15 -169.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -111.57 103.13 11.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.974 0.91 . . . . 0.0 110.41 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.93 137.97 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.427 1.091 . . . . 0.0 110.396 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.24 142.97 16.07 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.436 1.017 . . . . 0.0 112.014 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.04 136.35 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.669 1.588 . . . . 0.0 108.418 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.9 75.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.357 1.063 . . . . 0.0 109.271 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.14 152.38 39.72 Favored Pre-proline 0 N--CA 1.452 -0.328 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.58 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.99 152.27 68.07 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.404 2.069 . . . . 0.0 110.131 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.5 -4.84 16.45 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.62 -25.63 65.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.96 0.904 . . . . 0.0 112.091 169.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.49 144.1 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.015 0.912 . . . . 0.0 112.076 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.85 143.08 36.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.77 1.228 . . . . 0.0 111.61 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.07 117.38 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 123.451 0.701 . . . . 0.0 109.517 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -150.31 158.49 44.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -80.87 152.85 27.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.782 0.833 . . . . 0.0 112.115 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.65 -33.34 75.4 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.493 0.717 . . . . 0.0 112.175 -174.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.35 -14.69 57.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.999 0.919 . . . . 0.0 112.977 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -22.75 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 125.222 1.409 . . . . 0.0 111.121 -173.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.452 -0.346 0 O-C-N 121.35 -0.844 . . . . 0.0 110.475 178.503 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.71 119.46 39.19 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.209 1.404 . . . . 0.0 107.449 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -116.51 138.55 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -166.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.12 135.89 47.89 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.632 1.173 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -106.26 110.25 22.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -124.96 166.45 16.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.545 1.138 . . . . 0.0 110.691 -169.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -109.64 155.79 21.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.798 0.439 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.1 m -54.44 126.78 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.292 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.94 -13.45 45.38 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.03 -0.872 . . . . 0.0 115.145 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.88 154.35 38.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 119.395 1.597 . . . . 0.0 112.667 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -125.79 144.6 50.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.357 1.063 . . . . 0.0 111.499 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.5 mm -132.85 151.35 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 126.429 1.891 . . . . 0.0 108.86 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -126.16 140.92 52.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.323 1.049 . . . . 0.0 110.663 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -131.71 132.32 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 123.982 0.913 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 -134.19 51.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -123.29 2.27 9.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.603 0.761 . . . . 0.0 112.064 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.75 -16.38 6.69 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.787 0.835 . . . . 0.0 113.202 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.35 136.24 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.74 0.7 . . . . 0.0 110.531 -172.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -130.54 149.34 52.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.481 1.112 . . . . 0.0 109.86 169.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -129.55 145.65 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.363 1.865 . . . . 0.0 107.81 -175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -140.58 130.12 24.08 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.765 0.426 . . . . 0.0 110.328 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.11 114.8 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 168.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.35 -30.14 21.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.042 -0.411 . . . . 0.0 111.133 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 157.2 175.96 28.72 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-O 120.861 0.145 . . . . 0.0 112.874 170.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.11 153.55 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.344 0.592 . . . . 0.0 111.057 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -137.24 74.06 1.47 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.938 1.295 . . . . 0.0 108.506 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 -117.37 4.47 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.89 16.41 24.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.347 0.594 . . . . 0.0 111.243 169.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -98.92 157.51 16.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.74 1.216 . . . . 0.0 109.345 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -142.44 114.79 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.794 0.437 . . . . 0.0 110.108 -169.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -84.52 124.7 31.68 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.327 0.512 . . . . 0.0 110.738 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.75 130.42 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.282 1.433 . . . . 0.0 109.161 -173.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.39 15.51 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 123.611 0.624 . . . . 0.0 111.608 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.06 132.64 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 124.001 0.92 . . . . 0.0 109.05 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -133.06 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.473 -1.239 . . . . 0.0 109.297 -168.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.46 157.64 53.35 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.564 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.14 157.35 35.17 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.915 1.743 . . . . 0.0 111.311 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -68.41 -0.68 5.2 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.018 0.927 . . . . 0.0 112.199 169.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.91 -25.78 67.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.223 1.409 . . . . 0.0 111.359 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.71 144.13 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.443 1.097 . . . . 0.0 110.263 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.414 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -86.82 141.8 28.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.665 0.745 . . . . 0.0 111.373 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -141.88 98.85 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.755 -166.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.414 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -145.92 157.21 43.9 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.075 0.465 . . . . 0.0 111.695 177.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 22.7 ptt-85 -65.54 157.79 28.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.107 0.563 . . . . 0.0 111.732 171.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -55.62 -41.54 73.64 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 123.207 0.603 . . . . 0.0 112.148 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.67 -3.91 10.51 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.27 -51.27 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.586 1.154 . . . . 0.0 109.846 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -50.6 -36.74 36.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.325 1.45 . . . . 0.0 112.314 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.93 -22.95 64.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -174.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -80.23 -40.39 27.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 118.737 0.699 . . . . 0.0 110.501 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.82 -39.61 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -80.28 4.94 16.08 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.85 -17.97 45.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.237 0.615 . . . . 0.0 112.093 169.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.14 48.48 0.09 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-O 119.599 -0.556 . . . . 0.0 114.123 169.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.63 -177.36 3.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.68 0.74 . . . . 0.0 112.699 -168.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -124.76 174.93 7.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.321 1.448 . . . . 0.0 108.635 168.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.95 119.41 0.68 Allowed Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 125.227 1.411 . . . . 0.0 111.849 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -67.17 178.88 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.53 2.153 . . . . 0.0 113.949 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 112.73 176.535 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpp . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.86 107.51 15.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 167.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.93 135.61 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.888 0.875 . . . . 0.0 109.846 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -128.23 134.98 49.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.021 0.928 . . . . 0.0 109.231 168.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.1 p -95.3 124.82 39.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.27 0.628 . . . . 0.0 109.836 169.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.81 145.02 49.36 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.811 0.278 . . . . 0.0 110.964 172.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.436 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.2 tptm -80.01 157.4 26.79 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.97 139.73 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 O-C-N 121.168 -0.958 . . . . 0.0 112.042 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.67 -2.6 84.67 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.71 1.148 . . . . 0.0 114.037 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -89.67 167.68 12.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.823 1.312 . . . . 0.0 112.689 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -128.15 158.06 39.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.867 0.867 . . . . 0.0 113.169 -170.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt -142.81 161.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 126.893 2.077 . . . . 0.0 108.025 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -134.44 146.56 49.92 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.177 0.991 . . . . 0.0 111.82 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.06 143.73 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.63 1.172 . . . . 0.0 108.934 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.01 -140.41 44.75 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 123.709 0.671 . . . . 0.0 111.66 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.37 8.76 12.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.167 0.987 . . . . 0.0 111.156 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -133.19 -12.55 2.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.27 138.53 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.849 0.749 . . . . 0.0 110.879 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -125.24 142.39 51.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.671 1.189 . . . . 0.0 109.282 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -122.09 145.26 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.655 1.182 . . . . 0.0 108.178 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -137.82 129.65 28.54 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 122.691 0.397 . . . . 0.0 110.121 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.11 115.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 168.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -89.53 -35.87 15.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.922 -0.486 . . . . 0.0 109.94 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.65 178.46 40.26 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 113.933 0.333 . . . . 0.0 113.933 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.05 154.4 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.77 0.828 . . . . 0.0 110.268 172.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -151.93 108.35 3.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 169.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -132.31 23.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.04 1.07 57.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.059 0.944 . . . . 0.0 111.946 170.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 151.01 23.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.288 1.035 . . . . 0.0 110.66 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 t -134.01 125.59 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.763 0.825 . . . . 0.0 108.98 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -84.39 114.0 21.58 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -120.31 127.09 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 109.395 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.0 135.72 12.29 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.939 0.78 . . . . 0.0 111.873 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -121.79 127.86 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.385 1.074 . . . . 0.0 108.568 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -129.07 89.95 2.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.846 -0.534 . . . . 0.0 110.288 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.16 156.98 73.71 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.611 1.164 . . . . 0.0 110.22 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -62.74 151.88 81.43 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.558 2.172 . . . . 0.0 111.087 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -65.39 -1.07 2.18 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.579 0.751 . . . . 0.0 112.675 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.78 -22.31 66.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 111.337 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -123.71 147.9 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.23 1.012 . . . . 0.0 110.508 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.02 22.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 122.786 0.435 . . . . 0.0 111.29 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.96 130.31 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.126 0.57 . . . . 0.0 109.489 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -154.41 164.03 39.26 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.454 0.702 . . . . 0.0 111.263 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -80.88 160.28 24.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -60.56 -32.57 71.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.033 0.533 . . . . 0.0 112.252 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.69 -44.02 76.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.85 0.86 . . . . 0.0 111.743 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -90.75 -30.11 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.534 0.733 . . . . 0.0 110.72 -172.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -51.63 -35.96 44.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.755 0.822 . . . . 0.0 112.336 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -60.17 -30.52 69.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.427 0.691 . . . . 0.0 112.353 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.52 -36.63 76.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.536 0.734 . . . . 0.0 111.689 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.455 -0.215 0 O-C-N 122.121 -0.362 . . . . 0.0 110.156 176.75 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.41 107.13 9.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.234 2.614 . . . . 0.0 106.191 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.59 135.0 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.524 1.13 . . . . 0.0 109.471 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.36 166.97 12.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.713 1.205 . . . . 0.0 111.129 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.41 109.91 15.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 107.957 168.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -122.14 129.5 52.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 109.975 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -73.94 153.36 39.81 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 111.062 171.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.38 139.07 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.365 0.602 . . . . 0.0 112.578 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.32 -6.34 83.45 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.643 1.116 . . . . 0.0 113.833 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.38 178.41 5.97 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.943 1.371 . . . . 0.0 112.579 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -131.13 156.33 45.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.737 0.815 . . . . 0.0 113.114 -169.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 57.0 mt -143.38 161.43 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.835 2.454 . . . . 0.0 108.782 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -140.28 152.23 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.377 -0.827 . . . . 0.0 112.482 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.16 139.26 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.782 1.233 . . . . 0.0 109.184 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.3 -135.7 51.38 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.78 10.05 5.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.059 0.943 . . . . 0.0 112.417 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -124.32 -14.53 6.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.934 0.894 . . . . 0.0 113.255 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.04 136.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.834 0.743 . . . . 0.0 110.881 -169.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -120.56 149.04 43.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.417 1.087 . . . . 0.0 109.706 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.5 142.92 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.312 1.445 . . . . 0.0 107.737 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -141.01 129.32 22.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.706 -0.622 . . . . 0.0 109.881 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -88.29 86.16 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.22 -32.21 73.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.821 -0.55 . . . . 0.0 111.753 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.93 -168.06 40.5 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.572 -0.823 . . . . 0.0 114.524 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.85 134.56 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.063 1.345 . . . . 0.0 110.246 -169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 63.4 m -145.94 99.25 3.23 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.043 0.937 . . . . 0.0 109.818 -170.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -119.71 13.72 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.436 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mt-30 -97.16 -6.15 35.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.796 0.838 . . . . 0.0 111.038 173.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.2 159.98 25.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 112.573 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.98 124.37 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.588 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.37 113.98 18.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.85 115.97 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.662 0.785 . . . . 0.0 109.167 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.07 133.4 11.73 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 40.4 mt -122.71 138.64 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.953 0.901 . . . . 0.0 108.646 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -138.04 89.9 2.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.29 157.26 51.67 Favored Pre-proline 0 N--CA 1.451 -0.414 0 C-N-CA 124.681 1.193 . . . . 0.0 109.503 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.0 149.72 87.64 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 121.947 1.765 . . . . 0.0 110.41 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.65 -1.0 5.91 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.99 -23.94 66.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.926 1.291 . . . . 0.0 111.599 168.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.05 160.06 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.078 0.951 . . . . 0.0 110.879 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.96 157.09 16.06 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.464 0.706 . . . . 0.0 112.384 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.61 127.01 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 O-C-N 121.901 -0.5 . . . . 0.0 109.968 168.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -151.21 165.55 33.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.395 0.678 . . . . 0.0 111.991 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.56 158.19 18.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.267 0.627 . . . . 0.0 109.803 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.77 -36.73 79.7 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 121.722 -0.611 . . . . 0.0 111.305 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.25 -17.01 64.62 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -102.12 -40.59 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.021 0.928 . . . . 0.0 110.968 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -46.6 -39.83 11.81 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.344 1.458 . . . . 0.0 112.088 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.79 -26.09 67.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.828 1.251 . . . . 0.0 113.515 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.41 26.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.095 0.558 . . . . 0.0 110.303 179.5 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.02 127.05 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 158.01 26.51 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.797 1.639 . . . . 0.0 110.129 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' THR . . . . . 0.408 HG23 ' HG3' ' F' ' 29' ' ' GLN . 1.5 m -127.12 132.72 50.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 168.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -142.06 134.82 28.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.324 0.65 . . . . 0.0 111.367 -168.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.63 161.31 14.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 122.755 0.422 . . . . 0.0 111.311 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 m -57.77 139.71 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.984 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.11 -3.57 86.95 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.163 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.5 172.98 8.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.695 1.247 . . . . 0.0 111.493 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -137.06 156.8 47.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.47 155.34 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 126.631 1.972 . . . . 0.0 108.563 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -133.72 151.04 51.52 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -136.88 137.56 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.732 1.213 . . . . 0.0 109.047 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -136.76 49.8 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -124.68 9.96 8.36 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.176 0.991 . . . . 0.0 111.624 174.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.65 -7.38 1.47 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.69 135.36 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.988 0.813 . . . . 0.0 110.811 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -127.87 142.72 51.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.535 1.134 . . . . 0.0 110.062 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.21 137.32 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.501 . . . . 0.0 108.317 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -131.98 128.24 37.99 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.228 0.611 . . . . 0.0 109.79 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.51 103.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.74 -32.18 67.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.985 -0.447 . . . . 0.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.4 -176.03 40.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 113.852 0.301 . . . . 0.0 113.852 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.43 134.21 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.55 1.14 . . . . 0.0 111.658 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -149.99 110.04 4.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.835 1.254 . . . . 0.0 110.287 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.57 -124.2 23.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -89.81 -14.72 33.87 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.341 0.571 . . . . 0.0 111.773 170.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.08 148.91 27.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.215 1.007 . . . . 0.0 111.927 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.24 111.73 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -87.01 123.63 32.32 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -128.08 130.65 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.879 0.871 . . . . 0.0 110.427 -168.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.72 143.06 16.41 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.391 0.996 . . . . 0.0 111.464 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -134.44 126.55 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.746 1.219 . . . . 0.0 108.978 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -126.27 100.9 6.5 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.01 0.524 . . . . 0.0 109.589 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 154.89 73.52 Favored Pre-proline 0 N--CA 1.452 -0.349 0 C-N-CA 124.389 1.076 . . . . 0.0 110.541 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.72 158.89 39.77 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.866 2.377 . . . . 0.0 112.15 172.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -72.64 -0.97 14.46 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 171.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.11 -21.35 66.35 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.274 1.03 . . . . 0.0 111.377 168.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.84 158.6 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.358 1.063 . . . . 0.0 110.526 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.19 158.86 15.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.04 129.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.092 0.557 . . . . 0.0 110.511 171.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -151.82 170.44 19.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.933 0.893 . . . . 0.0 111.31 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -80.47 161.1 25.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 168.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.16 -18.49 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -169.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.55 -53.98 49.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.263 0.625 . . . . 0.0 110.42 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.34 -38.8 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.121 0.568 . . . . 0.0 109.579 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.143 0.977 . . . . 0.0 112.652 -177.834 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.72 149.4 21.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.012 -0.43 . . . . 0.0 111.481 175.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.48 133.92 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -130.94 162.94 28.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.695 1.198 . . . . 0.0 109.876 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -128.81 102.47 6.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 167.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -104.91 156.07 18.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.859 0.864 . . . . 0.0 109.652 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -114.12 167.56 10.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.72 132.63 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.912 -168.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.04 -11.44 65.83 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.384 0.992 . . . . 0.0 114.326 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -89.59 165.14 14.44 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.891 1.346 . . . . 0.0 112.407 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -134.29 151.56 51.33 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.72 154.73 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 127.428 2.291 . . . . 0.0 108.385 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -134.03 146.05 50.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.485 -0.759 . . . . 0.0 111.235 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -135.53 142.54 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.386 1.074 . . . . 0.0 109.256 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.82 -132.3 51.04 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.83 10.09 5.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.155 0.982 . . . . 0.0 112.473 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -136.21 -16.17 1.66 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.18 136.95 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.345 0.975 . . . . 0.0 110.823 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -133.0 142.5 48.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.197 0.999 . . . . 0.0 110.631 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -123.3 142.68 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 125.96 1.704 . . . . 0.0 108.165 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -138.17 130.16 28.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.945 0.498 . . . . 0.0 110.152 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.05 114.89 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -85.65 -28.96 24.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.567 0.747 . . . . 0.0 110.95 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.47 -177.63 33.36 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.832 0.254 . . . . 0.0 113.66 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -120.89 158.44 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 123.561 0.744 . . . . 0.0 112.414 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -149.13 89.95 1.7 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.092 1.357 . . . . 0.0 108.092 168.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.36 -124.4 34.62 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -169.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.15 -17.84 61.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.556 0.742 . . . . 0.0 112.912 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . 0.408 ' HG3' HG23 ' E' ' 5' ' ' THR . 17.7 tt0 -85.54 143.49 28.47 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.59 118.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 125.485 1.514 . . . . 0.0 107.293 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -93.13 127.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.211 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.11 138.62 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.927 0.891 . . . . 0.0 110.761 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 142.26 15.52 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.184 0.897 . . . . 0.0 111.327 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -130.55 133.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.616 1.166 . . . . 0.0 109.494 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -132.95 108.36 8.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.655 0.782 . . . . 0.0 109.437 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.84 157.94 76.62 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.745 0.818 . . . . 0.0 111.418 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.21 162.14 37.26 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.092 2.528 . . . . 0.0 112.226 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -67.96 -11.85 59.61 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.706 0.802 . . . . 0.0 112.667 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -20.5 66.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.07 1.348 . . . . 0.0 112.686 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.98 165.69 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.741 0.817 . . . . 0.0 111.336 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.43 160.9 14.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.29 0.636 . . . . 0.0 111.729 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 p -154.98 114.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.737 0.815 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -152.28 174.21 14.07 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.851 0.86 . . . . 0.0 110.416 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.53 163.6 24.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.733 -0.604 . . . . 0.0 110.342 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -62.32 -25.96 68.17 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.05 0.54 . . . . 0.0 112.358 -172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.86 -44.26 90.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 111.676 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -86.62 -28.92 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.553 0.741 . . . . 0.0 109.739 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 123.919 0.888 . . . . 0.0 112.843 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.45 110.69 23.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.601 0.76 . . . . 0.0 109.602 -176.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.35 135.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.125 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.85 158.07 43.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.406 1.082 . . . . 0.0 109.772 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.4 m -119.88 100.96 7.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.63 140.88 41.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.134 0.973 . . . . 0.0 110.456 -169.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -105.87 155.48 19.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.941 0.337 . . . . 0.0 110.204 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.35 121.95 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.762 0.825 . . . . 0.0 110.584 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.48 -0.55 59.84 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.256 0.932 . . . . 0.0 114.272 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -101.16 166.52 10.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.71 1.255 . . . . 0.0 111.631 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 150.11 51.11 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 33.1 mm -112.31 155.04 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.722 1.609 . . . . 0.0 109.842 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -123.65 140.51 52.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.854 1.262 . . . . 0.0 110.201 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.97 134.45 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.162 0.985 . . . . 0.0 109.583 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.9 -129.14 29.59 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.04 2.23 4.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.592 0.757 . . . . 0.0 112.363 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -134.48 -14.14 2.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.04 137.9 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.785 0.834 . . . . 0.0 110.111 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.24 148.23 47.95 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.605 0.762 . . . . 0.0 109.303 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.13 141.85 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.906 1.283 . . . . 0.0 108.053 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 m -138.0 136.03 36.52 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.434 0.561 . . . . 0.0 109.91 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.31 101.14 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.93 58.05 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.664 -0.648 . . . . 0.0 111.39 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -167.95 40.68 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 118.108 0.413 . . . . 0.0 113.331 169.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.47 145.57 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.269 0.628 . . . . 0.0 111.607 -172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -137.36 67.21 1.44 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 110.154 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -127.46 9.12 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -80.32 -12.31 59.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 17.9 pt20 -98.77 133.05 43.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 122.518 1.152 . . . . 0.0 111.668 174.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.92 127.16 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 126.256 1.822 . . . . 0.0 108.287 -169.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -89.17 101.9 14.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.36 135.75 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.474 1.11 . . . . 0.0 109.395 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.37 141.63 17.1 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.147 0.879 . . . . 0.0 111.934 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.59 140.89 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.442 1.497 . . . . 0.0 108.503 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -129.11 74.99 1.62 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.786 1.234 . . . . 0.0 109.328 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.36 153.95 45.48 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 125.158 1.383 . . . . 0.0 110.775 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.6 155.64 49.73 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.556 2.171 . . . . 0.0 110.7 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -67.33 -5.77 15.77 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.25 -24.68 65.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.036 0.935 . . . . 0.0 112.084 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -120.38 144.1 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.886 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 143.04 38.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.426 1.091 . . . . 0.0 111.533 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 t -127.37 120.19 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -147.82 -176.02 5.1 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.892 0.877 . . . . 0.0 110.514 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.86 167.61 16.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 112.175 171.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.837 0.855 . . . . 0.0 112.334 -173.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -58.53 -25.18 62.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.871 1.268 . . . . 0.0 113.091 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.07 -24.29 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.151 1.38 . . . . 0.0 111.126 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.451 -0.378 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -174.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.16 122.0 42.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 107.499 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 mt -118.68 141.25 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.076 0.55 . . . . 0.0 112.073 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.06 135.3 29.04 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.658 1.183 . . . . 0.0 111.176 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -83.33 126.41 32.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 166.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -126.59 116.79 21.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.929 0.492 . . . . 0.0 110.028 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 58.8 tttt -82.7 149.08 27.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -57.28 128.57 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.607 -169.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.68 -6.86 59.11 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.926 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -88.77 167.81 12.99 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.068 1.434 . . . . 0.0 111.862 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -130.13 150.93 51.17 Favored 'General case' 0 C--N 1.338 0.073 0 C-N-CA 123.867 0.867 . . . . 0.0 112.873 -168.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 15.1 mt -132.42 153.69 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 126.502 1.921 . . . . 0.0 109.761 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -136.68 141.2 43.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 121.645 -0.659 . . . . 0.0 111.911 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -134.26 132.42 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 109.816 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.61 -137.4 50.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.8 4.02 9.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.627 0.771 . . . . 0.0 112.084 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.56 -15.42 8.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.792 0.837 . . . . 0.0 112.891 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.75 135.85 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 118.823 0.738 . . . . 0.0 110.654 -172.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -131.84 148.71 52.57 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.697 1.199 . . . . 0.0 109.759 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mm -130.6 144.47 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.708 1.603 . . . . 0.0 108.226 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -137.49 135.47 36.83 Favored 'General case' 0 C--N 1.334 -0.097 0 O-C-N 122.028 -0.42 . . . . 0.0 110.378 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.43 100.21 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.11 -29.52 60.6 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.695 -0.628 . . . . 0.0 111.394 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.3 -174.37 37.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 122.552 0.12 . . . . 0.0 113.129 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.99 154.93 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 CA-C-O 121.311 0.577 . . . . 0.0 111.459 177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -140.22 74.0 1.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.127 1.371 . . . . 0.0 108.637 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.96 -116.71 4.26 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -101.59 8.53 41.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.465 0.706 . . . . 0.0 110.881 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.97 154.36 18.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.912 0.885 . . . . 0.0 110.236 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.75 118.23 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.684 0.794 . . . . 0.0 109.246 -169.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -87.7 121.68 30.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.915 0.886 . . . . 0.0 109.696 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -131.25 134.53 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.492 1.117 . . . . 0.0 109.716 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 140.66 15.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 123.504 0.573 . . . . 0.0 111.743 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.08 132.17 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.867 0.867 . . . . 0.0 109.488 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -133.03 75.05 1.6 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.526 -168.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.65 157.49 51.91 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.773 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.78 156.66 41.89 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.05 1.834 . . . . 0.0 111.241 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -67.26 -0.73 3.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.166 0.987 . . . . 0.0 112.357 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.88 -25.74 67.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.707 1.603 . . . . 0.0 111.366 171.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.13 144.15 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.659 1.184 . . . . 0.0 110.286 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -84.72 142.8 29.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 111.403 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -143.45 95.07 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.974 -166.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.401 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -146.62 161.36 40.69 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.28 0.632 . . . . 0.0 111.699 178.36 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.4 ptt-85 -67.53 158.38 32.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -54.75 -36.75 65.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.711 0.804 . . . . 0.0 112.107 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -51.19 58.21 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.13 0.572 . . . . 0.0 111.437 174.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -71.08 -45.49 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.747 1.219 . . . . 0.0 110.491 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -51.87 -37.6 52.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.925 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -68.42 -25.07 64.84 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -81.51 -38.65 25.93 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.943 0.792 . . . . 0.0 110.461 172.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.94 -41.4 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.89 5.11 14.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -15.43 56.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.07 0.548 . . . . 0.0 111.698 169.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.05 46.2 0.13 Allowed Glycine 0 C--N 1.338 0.644 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.146 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.95 -176.62 2.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 113.009 -168.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -126.45 178.0 6.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.623 1.569 . . . . 0.0 109.15 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.03 118.68 0.96 Allowed Pre-proline 0 CA--C 1.53 0.193 0 C-N-CA 124.798 1.239 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.02 175.34 8.45 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.872 1.715 . . . . 0.0 113.771 -169.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.51 173.105 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.25 115.38 30.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.041 1.337 . . . . 0.0 108.338 170.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.41 133.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.583 0.753 . . . . 0.0 109.886 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.14 134.9 51.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.817 0.847 . . . . 0.0 109.52 168.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -90.2 139.24 30.83 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.77 130.2 18.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -75.55 151.3 37.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.503 1.121 . . . . 0.0 109.418 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.45 140.6 17.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 O-C-N 121.545 -0.722 . . . . 0.0 112.264 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.77 -3.92 84.93 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.661 1.124 . . . . 0.0 114.06 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -85.87 172.54 10.66 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.7 1.25 . . . . 0.0 112.706 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -132.63 157.7 44.13 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.174 0.99 . . . . 0.0 112.928 -172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -141.64 154.68 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 C-N-CA 127.021 2.129 . . . . 0.0 108.564 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -125.47 147.64 49.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.354 1.062 . . . . 0.0 111.757 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -136.12 139.97 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.887 1.275 . . . . 0.0 109.094 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -138.8 47.49 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.681 0.658 . . . . 0.0 111.622 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.76 7.46 11.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.142 0.977 . . . . 0.0 111.38 169.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -132.5 -11.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 113.398 -169.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.74 137.31 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 118.77 0.714 . . . . 0.0 110.788 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -126.59 143.73 51.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.494 1.117 . . . . 0.0 109.519 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -124.17 142.5 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.165 1.386 . . . . 0.0 108.202 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -135.4 131.98 36.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 122.117 -0.364 . . . . 0.0 110.452 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -88.06 111.99 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 168.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -88.65 -35.93 16.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.882 -0.511 . . . . 0.0 110.041 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.33 178.58 40.18 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 113.945 0.338 . . . . 0.0 113.945 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.15 149.76 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.541 0.736 . . . . 0.0 110.589 172.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -144.88 104.38 3.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.566 1.146 . . . . 0.0 108.58 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.64 -128.68 27.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -169.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.71 -1.28 55.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.9 0.88 . . . . 0.0 112.208 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.59 153.98 22.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.445 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.59 122.89 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.18 0.992 . . . . 0.0 108.51 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -79.31 114.66 18.42 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 169.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.92 123.22 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.574 1.149 . . . . 0.0 109.602 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 141.81 20.68 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.138 1.351 . . . . 0.0 111.908 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -132.13 132.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -137.99 89.99 2.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.0 157.34 78.36 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.253 1.021 . . . . 0.0 110.127 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.76 154.16 71.11 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.635 2.223 . . . . 0.0 111.341 171.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.38 -0.88 2.93 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.534 0.734 . . . . 0.0 112.626 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.376 1.07 . . . . 0.0 111.445 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.27 151.85 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.172 0.989 . . . . 0.0 110.852 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.01 154.42 22.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.116 0.566 . . . . 0.0 111.571 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.45 128.94 21.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 123.053 0.541 . . . . 0.0 109.876 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -155.63 162.68 40.57 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.238 0.615 . . . . 0.0 111.787 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -77.57 163.72 26.01 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 165.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.81 -27.54 67.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.046 -0.409 . . . . 0.0 111.768 -170.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.02 -44.67 87.45 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.869 0.868 . . . . 0.0 111.456 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.23 -31.76 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 118.871 -0.585 . . . . 0.0 110.91 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -49.4 -41.28 39.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.64 0.654 . . . . 0.0 111.422 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -51.55 -20.75 2.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.576 1.95 . . . . 0.0 113.893 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -87.12 -39.18 15.78 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.462 0.171 0 C-N-CA 125.28 1.432 . . . . 0.0 112.587 -168.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -128.08 109.28 11.38 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.093 1.757 . . . . 0.0 106.571 166.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.51 124.88 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 108.475 -172.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 mt -110.37 169.06 8.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.861 0.864 . . . . 0.0 110.031 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.79 109.82 12.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -117.32 131.52 56.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.851 0.861 . . . . 0.0 110.028 -168.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -75.61 153.27 37.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.523 0.601 . . . . 0.0 110.582 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.69 135.57 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.078 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.33 -2.52 74.65 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.391 0.996 . . . . 0.0 114.144 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -97.44 175.98 6.04 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.995 1.398 . . . . 0.0 112.642 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -132.44 161.89 32.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.82 0.848 . . . . 0.0 113.252 -168.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -146.1 159.24 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 127.278 2.231 . . . . 0.0 108.293 -171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.1 149.75 52.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.256 -0.902 . . . . 0.0 112.01 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -134.25 139.23 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.748 1.219 . . . . 0.0 109.802 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -134.75 52.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 10.02 5.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.698 0.799 . . . . 0.0 112.32 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -126.55 -13.09 6.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.008 0.923 . . . . 0.0 113.298 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.53 133.4 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.91 0.777 . . . . 0.0 110.515 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -117.28 148.85 41.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.962 0.905 . . . . 0.0 109.606 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.92 144.84 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.988 1.315 . . . . 0.0 108.164 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -140.48 140.8 35.39 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.834 -0.541 . . . . 0.0 109.849 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -98.82 91.56 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.93 -33.02 74.68 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.709 -0.619 . . . . 0.0 111.735 -168.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.99 40.88 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-O 121.474 0.486 . . . . 0.0 113.52 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.72 133.59 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.523 1.129 . . . . 0.0 110.077 -169.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -139.79 88.13 2.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.027 1.331 . . . . 0.0 109.232 -169.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -123.05 22.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -171.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -8.47 44.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.679 0.791 . . . . 0.0 110.98 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.17 156.42 20.34 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.893 0.854 . . . . 0.0 111.779 170.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.09 127.58 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 124.19 0.996 . . . . 0.0 108.7 -173.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -83.47 112.66 20.16 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 122.936 0.495 . . . . 0.0 109.85 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -115.23 120.79 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.352 0.661 . . . . 0.0 109.426 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.8 139.27 14.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.71 1.148 . . . . 0.0 110.862 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.4 mt -134.18 134.96 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -137.99 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.05 157.56 48.34 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.775 1.23 . . . . 0.0 109.032 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.85 149.45 90.06 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.591 1.528 . . . . 0.0 110.107 169.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -68.71 -1.02 6.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.79 -0.569 . . . . 0.0 112.512 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.96 -23.21 66.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.121 1.369 . . . . 0.0 111.779 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.31 160.04 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.182 0.993 . . . . 0.0 110.928 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.82 157.06 16.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.32 0.648 . . . . 0.0 112.677 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.46 126.01 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.925 0.49 . . . . 0.0 109.846 167.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -150.11 164.68 34.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.537 0.735 . . . . 0.0 111.538 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -60.93 156.95 16.35 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 168.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.55 -35.84 77.0 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.855 0.752 . . . . 0.0 111.457 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.42 -23.8 66.36 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 24.4 mm -95.1 -35.4 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.562 1.145 . . . . 0.0 111.064 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -51.68 -41.31 61.33 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.139 0.976 . . . . 0.0 111.185 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.66 -22.15 63.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.58 1.152 . . . . 0.0 113.213 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -81.03 -45.52 16.43 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.085 0.954 . . . . 0.0 110.837 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 171.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.46 138.95 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.011 0.925 . . . . 0.0 109.274 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.7 165.04 34.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.114 0.966 . . . . 0.0 112.052 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.86 127.65 49.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.468 0.707 . . . . 0.0 109.926 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.27 125.03 31.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.929 1.291 . . . . 0.0 109.919 -170.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -90.57 166.45 13.2 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 119.762 1.164 . . . . 0.0 112.457 174.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.85 137.02 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.967 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.56 83.87 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.125 0.869 . . . . 0.0 114.206 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -93.06 172.58 8.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.782 1.291 . . . . 0.0 111.595 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.36 158.41 44.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -138.49 156.38 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 126.914 2.085 . . . . 0.0 108.223 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.98 150.7 49.35 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.48 -0.763 . . . . 0.0 113.049 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.57 139.86 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.728 1.211 . . . . 0.0 108.995 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -138.3 49.74 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.12 4.46 9.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.94 0.896 . . . . 0.0 111.715 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.92 -3.65 2.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.748 0.819 . . . . 0.0 113.052 -170.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.87 133.97 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.87 0.759 . . . . 0.0 110.62 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -127.16 144.89 50.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.379 1.072 . . . . 0.0 109.997 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -126.24 140.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.272 1.429 . . . . 0.0 108.013 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -137.69 126.98 24.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.781 0.432 . . . . 0.0 109.913 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.35 105.34 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.38 -29.95 57.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.939 0.496 . . . . 0.0 110.904 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.91 -174.76 35.24 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.383 0.516 . . . . 0.0 113.673 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -120.6 155.45 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.029 0.932 . . . . 0.0 111.655 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -141.75 89.93 2.24 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.795 1.238 . . . . 0.0 109.112 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -104.97 1.45 Allowed Glycine 0 CA--C 1.524 0.647 0 O-C-N 121.827 -0.546 . . . . 0.0 111.891 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -98.42 -20.11 17.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.595 0.697 . . . . 0.0 111.894 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -71.4 148.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.278 0.631 . . . . 0.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 t -139.75 116.93 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -90.63 124.86 35.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.211 0.605 . . . . 0.0 109.682 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.91 130.04 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.083 0.553 . . . . 0.0 110.667 -168.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.47 143.89 16.76 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.263 0.935 . . . . 0.0 111.864 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.7 mt -133.77 126.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.455 1.502 . . . . 0.0 108.474 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -128.83 98.9 5.12 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.08 155.98 74.18 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 124.936 1.294 . . . . 0.0 110.014 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.43 159.09 32.98 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.585 2.19 . . . . 0.0 111.974 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -69.27 -0.91 6.84 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.907 0.883 . . . . 0.0 112.642 169.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.92 -23.59 67.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 169.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.88 157.84 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 111.074 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.39 155.99 18.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.975 0.51 . . . . 0.0 111.878 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.99 125.52 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.877 0.471 . . . . 0.0 110.508 169.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -150.91 170.85 18.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -80.23 162.5 24.61 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.64 -0.662 . . . . 0.0 110.646 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -59.51 -26.5 65.36 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.365 0.666 . . . . 0.0 112.292 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -61.32 -49.9 75.13 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.259 1.024 . . . . 0.0 111.438 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.74 -31.83 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 N--CA 1.452 -0.355 0 C-N-CA 124.446 1.098 . . . . 0.0 112.583 178.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.61 149.31 21.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.072 -0.393 . . . . 0.0 111.413 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.0 128.04 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.41 0.684 . . . . 0.0 109.157 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.53 152.13 32.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.973 1.309 . . . . 0.0 109.262 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.73 97.02 4.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.82 145.09 51.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.55 0.74 . . . . 0.0 111.359 -175.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.67 174.18 7.39 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.88 139.12 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -5.6 82.2 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.862 0.744 . . . . 0.0 114.46 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.68 175.66 10.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.762 1.281 . . . . 0.0 112.742 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -145.33 150.07 35.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.504 1.122 . . . . 0.0 110.856 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.41 157.08 41.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 125.627 1.571 . . . . 0.0 108.605 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -130.88 149.48 52.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.285 -0.885 . . . . 0.0 112.159 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.4 mt -136.39 143.13 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.486 1.114 . . . . 0.0 109.07 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.74 -138.46 48.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -124.93 10.0 8.21 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.078 0.951 . . . . 0.0 112.31 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -133.16 -9.89 2.96 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.75 137.63 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.404 1.002 . . . . 0.0 111.217 -171.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -131.35 145.16 51.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.352 1.061 . . . . 0.0 110.589 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -124.25 141.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 126.037 1.735 . . . . 0.0 108.453 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 15.4 m -135.81 138.76 42.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.095 0.958 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -96.11 112.11 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.38 -28.25 41.9 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.649 0.38 . . . . 0.0 110.149 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.28 -169.42 31.52 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.611 0.624 . . . . 0.0 113.327 168.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.34 160.7 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.355 0.662 . . . . 0.0 112.04 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -148.99 95.88 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.493 1.117 . . . . 0.0 109.306 169.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.47 -102.93 1.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -100.47 -19.4 16.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.404 0.602 . . . . 0.0 112.126 171.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.59 144.75 45.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.05 0.54 . . . . 0.0 110.518 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.33 112.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -88.09 124.82 34.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.185 0.594 . . . . 0.0 109.489 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.98 142.45 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.408 1.083 . . . . 0.0 109.845 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.23 143.53 17.56 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.383 0.992 . . . . 0.0 111.128 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 57.3 mt -135.54 127.87 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.497 1.119 . . . . 0.0 109.662 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -124.68 105.72 9.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.577 0.751 . . . . 0.0 109.456 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.28 158.36 75.42 Favored Pre-proline 0 N--CA 1.453 -0.292 0 C-N-CA 124.207 1.003 . . . . 0.0 110.93 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.21 159.72 41.96 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.746 2.297 . . . . 0.0 112.357 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.5 -12.57 45.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -16.38 63.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 112.406 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.35 168.09 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.955 0.902 . . . . 0.0 110.875 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.63 158.88 15.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.347 0.659 . . . . 0.0 111.389 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.01 120.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.552 0.741 . . . . 0.0 109.993 174.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.68 177.73 11.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.937 0.895 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -79.66 164.09 24.04 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.045 -0.409 . . . . 0.0 109.939 168.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.39 -26.05 66.36 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.141 0.576 . . . . 0.0 112.426 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.23 -48.16 82.9 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.868 0.867 . . . . 0.0 111.4 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -83.46 -26.27 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.251 0.621 . . . . 0.0 110.347 -169.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 123.825 0.85 . . . . 0.0 112.686 174.363 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 113.48 25.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.137 0.88 . . . . 0.0 109.844 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.46 138.66 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.876 0.87 . . . . 0.0 110.05 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.2 mt -135.09 158.28 44.77 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.618 1.167 . . . . 0.0 109.831 173.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.7 m -126.81 118.02 23.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.821 0.848 . . . . 0.0 109.225 -173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -130.76 138.7 50.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.947 0.499 . . . . 0.0 111.399 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 158.94 18.59 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 168.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -43.28 127.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 111.146 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.7 -5.71 56.9 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.358 0.98 . . . . 0.0 114.584 174.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -92.82 165.55 12.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.973 1.386 . . . . 0.0 112.268 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.56 146.18 47.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.3 mm -110.41 157.4 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.366 1.466 . . . . 0.0 110.053 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.64 139.46 51.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.485 1.114 . . . . 0.0 110.142 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mt -133.72 128.75 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.152 0.981 . . . . 0.0 109.558 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.84 -128.75 32.23 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -123.86 -1.71 8.35 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.735 0.814 . . . . 0.0 112.498 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.76 -19.31 1.36 Allowed 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -169.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.16 132.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 119.188 0.904 . . . . 0.0 110.392 -172.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -127.08 142.09 51.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.749 0.82 . . . . 0.0 109.641 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -123.4 143.79 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.827 1.251 . . . . 0.0 108.335 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -139.29 135.76 34.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.477 0.58 . . . . 0.0 110.237 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.03 100.08 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.66 -30.26 62.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.99 -0.444 . . . . 0.0 110.215 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.77 -173.06 43.35 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 117.709 0.232 . . . . 0.0 113.497 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.84 156.29 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.8 0.84 . . . . 0.0 111.658 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -141.74 62.33 1.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.382 1.073 . . . . 0.0 109.976 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.54 -116.71 4.99 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.29 -14.98 58.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.28 0.632 . . . . 0.0 112.446 -175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -101.17 153.6 19.46 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.982 0.896 . . . . 0.0 112.644 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -132.37 117.3 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.937 1.695 . . . . 0.0 107.868 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -91.82 101.97 14.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.079 0.466 . . . . 0.0 110.046 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.81 133.42 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.881 1.272 . . . . 0.0 109.258 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.21 138.18 13.96 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.718 0.675 . . . . 0.0 111.454 170.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -111.94 130.61 65.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.365 1.466 . . . . 0.0 108.105 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -119.35 74.96 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.297 1.039 . . . . 0.0 109.1 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.37 153.83 40.2 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.191 1.396 . . . . 0.0 110.614 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.99 153.54 57.86 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.491 2.127 . . . . 0.0 110.405 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -68.0 -4.32 12.9 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.63 -22.95 63.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 112.29 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.91 144.08 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.803 0.811 . . . . 0.0 111.685 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.08 30.91 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.157 0.983 . . . . 0.0 110.842 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 129.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.699 0.4 . . . . 0.0 110.743 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -153.29 174.49 14.23 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.031 0.932 . . . . 0.0 110.762 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -108.1 164.78 11.99 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.704 0.402 . . . . 0.0 111.657 169.144 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.23 -24.43 67.34 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.22 -13.91 62.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.703 0.801 . . . . 0.0 111.902 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.16 -28.81 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.578 1.151 . . . . 0.0 110.907 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 N--CA 1.452 -0.338 0 O-C-N 121.391 -0.818 . . . . 0.0 110.678 -174.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.7 122.55 44.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 168.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -118.99 140.09 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.937 0.495 . . . . 0.0 111.968 -164.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -141.55 135.28 29.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.381 1.072 . . . . 0.0 111.079 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.0 p -86.83 125.32 33.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 166.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.47 121.77 37.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.003 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -74.42 155.25 38.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.867 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.4 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 24.5 m -63.32 124.63 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.852 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.55 56.71 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 118.926 -0.93 . . . . 0.0 115.031 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -90.88 166.57 13.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 119.05 1.425 . . . . 0.0 111.755 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -129.26 157.58 41.47 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.704 0.802 . . . . 0.0 113.026 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 22.6 mt -132.76 155.24 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.24 1.816 . . . . 0.0 109.532 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.23 139.0 40.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.922 -171.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.03 126.61 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.327 1.051 . . . . 0.0 109.462 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.01 52.2 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.03 4.91 5.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.809 0.844 . . . . 0.0 112.869 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -111.08 -22.1 11.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.71 137.76 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.983 0.81 . . . . 0.0 111.51 -169.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.54 152.19 51.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.016 1.326 . . . . 0.0 109.732 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -129.92 146.36 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.246 1.818 . . . . 0.0 107.737 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -139.32 133.58 31.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.669 0.388 . . . . 0.0 110.07 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.65 98.97 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -69.07 -32.81 72.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 122.097 -0.377 . . . . 0.0 111.283 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.4 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.05 -174.09 37.6 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 122.134 -0.079 . . . . 0.0 113.138 169.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.39 154.23 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.187 0.595 . . . . 0.0 110.912 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -138.3 77.81 1.65 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.732 1.213 . . . . 0.0 108.507 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.58 -115.9 4.25 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.443 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.71 15.12 23.92 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.078 0.439 . . . . 0.0 111.494 169.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -99.02 156.43 16.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.789 1.235 . . . . 0.0 109.962 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -140.31 119.86 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.782 0.833 . . . . 0.0 109.131 -168.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.52 119.21 30.6 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.935 1.294 . . . . 0.0 109.27 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.02 133.61 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.062 0.945 . . . . 0.0 110.377 -169.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.59 143.9 16.73 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 123.818 0.723 . . . . 0.0 112.204 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mt -125.98 129.73 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.231 1.012 . . . . 0.0 109.3 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -130.29 74.98 1.62 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.556 -168.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.49 48.27 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.416 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.84 156.6 37.37 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.779 1.653 . . . . 0.0 110.176 169.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -0.92 19.66 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 121.742 0.782 . . . . 0.0 111.04 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -22.82 66.57 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.837 1.655 . . . . 0.0 111.743 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.75 144.08 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.237 1.015 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.504 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -85.25 141.88 29.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.509 0.671 . . . . 0.0 111.602 171.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -141.98 95.4 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.053 -166.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.504 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -147.1 159.62 43.38 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 121.953 -0.467 . . . . 0.0 112.049 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.9 ptt-85 -67.15 160.54 26.62 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.169 0.588 . . . . 0.0 111.884 170.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -57.15 -41.08 78.47 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.217 0.607 . . . . 0.0 112.436 -172.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.07 -1.81 11.01 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -106.13 -51.67 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.279 1.031 . . . . 0.0 109.57 169.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -50.61 -37.11 38.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.452 1.501 . . . . 0.0 112.276 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.95 -21.81 63.23 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -80.97 -39.86 25.36 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.588 0.631 . . . . 0.0 110.683 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 99.7 mt -65.0 -39.04 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -80.4 5.04 16.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 173.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 -17.67 43.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.281 0.633 . . . . 0.0 112.075 169.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.51 47.36 0.09 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-O 119.526 -0.597 . . . . 0.0 114.417 169.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.94 -176.38 2.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.761 0.781 . . . . 0.0 112.882 -168.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -128.94 175.58 8.55 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.437 1.495 . . . . 0.0 109.016 167.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.95 118.46 0.67 Allowed Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.88 1.672 . . . . 0.0 113.282 -176.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -67.9 151.95 77.63 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.483 2.122 . . . . 0.0 112.987 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 124.032 0.933 . . . . 0.0 112.686 167.384 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 110.2 18.07 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.566 1.547 . . . . 0.0 106.945 164.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.31 136.17 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 124.171 0.988 . . . . 0.0 110.111 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.205 1.002 . . . . 0.0 109.549 169.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -94.89 147.26 23.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.014 0.526 . . . . 0.0 110.248 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 150.9 36.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.668 0.787 . . . . 0.0 111.374 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -85.36 156.13 21.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.195 0.998 . . . . 0.0 108.826 169.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.86 141.19 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 119.211 0.914 . . . . 0.0 111.686 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.42 -3.24 86.81 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.677 1.132 . . . . 0.0 114.743 -174.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.59 -176.08 6.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.712 1.756 . . . . 0.0 113.306 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -140.72 147.42 39.16 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 125.256 1.423 . . . . 0.0 112.318 -166.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.3 mm -144.15 153.92 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 126.996 2.118 . . . . 0.0 107.529 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.38 147.07 51.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.256 -0.902 . . . . 0.0 112.044 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -135.12 134.57 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.585 1.154 . . . . 0.0 109.221 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -140.17 46.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.789 0.709 . . . . 0.0 111.7 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -120.14 9.97 11.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.302 1.041 . . . . 0.0 111.35 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -127.89 -14.95 4.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 112.936 -170.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.38 136.55 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 118.614 0.643 . . . . 0.0 110.826 -172.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -126.16 138.93 53.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.571 1.148 . . . . 0.0 108.972 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.21 138.91 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -129.0 142.67 50.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.128 0.971 . . . . 0.0 109.45 -172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -103.08 129.59 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.47 -38.47 7.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.27 176.86 39.0 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.506 -0.378 . . . . 0.0 114.042 166.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.01 147.62 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.262 169.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -144.54 98.61 3.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.902 1.281 . . . . 0.0 107.862 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.84 -140.88 23.77 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.828 -169.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.76 5.67 24.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.963 0.905 . . . . 0.0 110.423 168.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.93 145.56 24.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.35 113.31 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -172.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -83.48 111.75 19.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.8 138.34 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.04 1.736 . . . . 0.0 109.114 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.42 139.9 14.66 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.022 0.82 . . . . 0.0 111.288 170.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.4 122.12 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.899 0.88 . . . . 0.0 108.815 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -123.28 93.05 3.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.942 0.497 . . . . 0.0 110.227 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.89 156.95 79.52 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.63 1.172 . . . . 0.0 110.057 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.38 152.39 77.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.654 2.236 . . . . 0.0 111.152 171.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.7 -0.92 3.24 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.369 0.668 . . . . 0.0 112.606 172.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.93 -22.21 66.48 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.277 1.031 . . . . 0.0 111.23 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.52 146.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.305 1.042 . . . . 0.0 110.517 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.34 156.99 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.577 0.351 . . . . 0.0 111.28 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.36 132.71 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 123.264 0.626 . . . . 0.0 109.666 172.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.17 165.16 36.75 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.145 0.578 . . . . 0.0 112.427 -173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -69.63 155.14 40.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 166.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -60.11 -35.13 74.55 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.484 0.584 . . . . 0.0 111.599 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.22 -16.93 61.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.32 -35.15 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.886 0.874 . . . . 0.0 110.848 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -52.79 -35.27 56.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.68 1.192 . . . . 0.0 112.28 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.34 -27.46 65.94 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.8 0.84 . . . . 0.0 112.402 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -69.96 -40.32 75.48 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.584 0.753 . . . . 0.0 111.79 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.054 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -122.74 110.34 15.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.583 1.953 . . . . 0.0 106.986 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -93.56 142.93 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.597 1.159 . . . . 0.0 109.749 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.4 136.78 18.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.9 1.28 . . . . 0.0 109.849 -168.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.4 p -97.48 133.98 41.33 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.425 0.557 . . . . 0.0 109.727 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.26 154.28 43.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 167.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.2 154.96 18.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.404 171.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.14 125.95 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.158 0.504 . . . . 0.0 111.053 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.67 -5.5 67.0 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.132 0.872 . . . . 0.0 113.908 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.21 170.46 10.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.65 1.225 . . . . 0.0 111.808 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -132.11 158.77 40.75 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.12 158.1 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 128.045 2.538 . . . . 0.0 107.899 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -131.92 153.0 50.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.051 -1.031 . . . . 0.0 111.329 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -134.18 135.98 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.94 1.296 . . . . 0.0 109.323 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -136.61 49.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.14 9.62 8.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.086 0.954 . . . . 0.0 111.762 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.05 -12.18 1.94 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -171.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.73 132.8 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 118.906 0.775 . . . . 0.0 110.524 -171.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -119.26 148.96 42.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.149 0.98 . . . . 0.0 110.062 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -130.49 142.64 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.727 1.611 . . . . 0.0 107.973 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 56.9 m -138.45 130.48 28.36 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.25 106.29 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.91 -35.54 57.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.728 -0.608 . . . . 0.0 111.007 -168.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.22 -173.83 44.82 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.268 0.461 . . . . 0.0 112.311 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.99 158.92 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.16 0.584 . . . . 0.0 110.761 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -143.24 75.12 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.763 0.825 . . . . 0.0 108.999 172.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.94 -113.14 3.65 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.82 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.31 -6.31 57.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.73 0.812 . . . . 0.0 110.585 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -85.26 158.56 20.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.935 0.874 . . . . 0.0 113.118 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -128.91 123.58 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.869 167.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -92.36 116.94 29.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -125.99 131.98 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.249 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.3 134.6 11.82 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 124.047 0.832 . . . . 0.0 111.092 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.04 140.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.36 1.064 . . . . 0.0 108.826 173.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -138.08 90.01 2.44 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.614 0.765 . . . . 0.0 109.708 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.61 158.63 46.72 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.602 1.161 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.55 150.91 87.31 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.047 1.831 . . . . 0.0 110.619 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -67.63 -0.97 4.41 Favored 'General case' 0 CA--C 1.526 0.03 0 C-N-CA 123.33 0.652 . . . . 0.0 112.719 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -69.76 -18.96 63.53 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.91 1.284 . . . . 0.0 112.0 168.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.59 160.11 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.158 0.983 . . . . 0.0 110.83 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.17 157.02 16.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.536 0.734 . . . . 0.0 112.596 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.09 127.44 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -152.5 173.38 15.21 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 123.521 0.729 . . . . 0.0 112.4 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp-105 -71.78 163.94 26.89 Favored 'General case' 0 C--O 1.227 -0.115 0 O-C-N 122.091 -0.381 . . . . 0.0 110.341 168.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.59 -40.0 93.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.028 0.531 . . . . 0.0 111.774 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.32 -26.36 67.27 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.41 -44.81 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.6 0.76 . . . . 0.0 109.945 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -48.83 -34.91 13.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.469 1.908 . . . . 0.0 113.002 -176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.92 -21.02 66.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.739 0.816 . . . . 0.0 113.004 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -46.2 14.01 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.958 0.903 . . . . 0.0 109.453 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.433 ' CD1' ' H ' ' D' ' 51' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.454 -0.232 0 C-N-CA 126.108 1.763 . . . . 0.0 111.24 173.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.458 0.17 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.2 135.69 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.041 0.936 . . . . 0.0 109.408 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -132.04 164.53 26.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.564 1.546 . . . . 0.0 110.553 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.84 100.79 4.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 167.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -113.26 141.3 47.15 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.531 1.132 . . . . 0.0 110.272 -173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -97.61 168.16 10.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.54 135.13 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.321 -169.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -4.06 82.11 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.129 0.871 . . . . 0.0 114.219 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -92.03 164.02 13.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.779 1.29 . . . . 0.0 111.495 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -130.39 158.63 39.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -169.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 25.0 mt -142.08 156.33 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.264 1.826 . . . . 0.0 108.076 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.23 148.24 47.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.557 -0.714 . . . . 0.0 112.789 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -137.16 137.76 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.693 1.197 . . . . 0.0 109.026 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -136.85 50.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.22 9.99 6.79 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.919 0.888 . . . . 0.0 112.477 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.54 -12.17 4.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.48 135.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 119.204 0.911 . . . . 0.0 111.121 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -128.12 143.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.555 1.142 . . . . 0.0 109.962 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.29 143.31 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.34 1.456 . . . . 0.0 108.239 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -138.26 129.32 27.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.932 0.493 . . . . 0.0 110.074 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -77.44 109.76 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 169.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.99 -27.21 39.65 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.988 -0.445 . . . . 0.0 111.075 -175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -174.27 33.42 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.454 0.549 . . . . 0.0 113.296 169.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.44 157.79 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.582 0.753 . . . . 0.0 111.928 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -149.61 89.94 1.67 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.764 1.225 . . . . 0.0 109.28 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.24 -116.06 5.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -173.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.64 -20.69 22.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.409 0.605 . . . . 0.0 111.556 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -74.56 141.81 44.74 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.215 0.531 . . . . 0.0 110.065 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.13 117.63 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -85.25 127.24 34.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.8 135.46 55.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.216 -168.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 140.03 15.22 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 124.504 1.05 . . . . 0.0 111.334 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.96 124.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.59 1.156 . . . . 0.0 109.162 -177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -124.68 98.97 5.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.5 155.31 75.46 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.585 1.154 . . . . 0.0 110.309 177.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.31 159.82 37.9 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.974 2.449 . . . . 0.0 112.153 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -73.45 -0.88 16.22 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.54 -20.66 66.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.084 0.954 . . . . 0.0 111.506 168.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -126.12 160.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.264 1.026 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 159.18 15.07 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 129.13 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.234 0.614 . . . . 0.0 110.373 169.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -151.3 169.45 21.92 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.204 1.002 . . . . 0.0 110.978 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -77.61 166.65 22.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.77 -0.581 . . . . 0.0 109.637 168.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -30.22 61.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.08 -33.9 76.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.016 0.927 . . . . 0.0 111.417 -175.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.91 -38.55 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.727 0.811 . . . . 0.0 109.102 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.557 0.743 . . . . 0.0 112.725 -178.624 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.1 149.27 21.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.125 -0.36 . . . . 0.0 111.437 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.21 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 124.088 0.955 . . . . 0.0 108.703 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -131.88 162.24 31.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.749 1.219 . . . . 0.0 109.778 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.37 97.05 4.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 168.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -110.94 142.19 43.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.481 1.112 . . . . 0.0 110.316 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -96.37 168.67 10.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.32 137.6 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.374 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -4.89 82.13 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.086 0.85 . . . . 0.0 114.106 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.5 171.56 8.83 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.744 1.272 . . . . 0.0 111.919 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 24.7 m -135.25 158.46 44.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.606 0.717 . . . . 0.0 112.362 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -143.2 153.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.241 1.417 . . . . 0.0 107.965 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -135.02 153.06 52.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.771 0.796 . . . . 0.0 112.246 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.32 139.69 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.347 1.459 . . . . 0.0 109.667 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.07 -138.19 47.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -121.52 9.59 10.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.086 0.954 . . . . 0.0 111.776 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.07 -13.9 0.91 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.24 133.84 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 119.124 0.875 . . . . 0.0 110.679 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -129.2 144.31 51.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.009 0.924 . . . . 0.0 110.568 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -124.75 142.19 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.36 1.864 . . . . 0.0 108.272 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.63 129.04 32.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 109.885 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.8 109.36 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -82.13 -27.45 32.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.56 0.744 . . . . 0.0 110.987 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.48 -173.16 34.29 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.282 0.468 . . . . 0.0 113.363 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.69 158.95 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.418 0.687 . . . . 0.0 112.153 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -149.8 91.8 1.84 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.837 1.255 . . . . 0.0 109.122 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.72 -103.06 1.28 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.842 -0.536 . . . . 0.0 111.933 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -101.46 -19.7 15.44 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 117.448 0.624 . . . . 0.0 112.196 170.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.5 140.62 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t -130.49 115.31 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -87.19 127.17 35.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.541 0.736 . . . . 0.0 109.149 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.43 141.42 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 124.047 0.939 . . . . 0.0 110.445 -167.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.23 140.43 16.33 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.059 0.838 . . . . 0.0 111.075 171.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -129.35 136.7 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.186 0.994 . . . . 0.0 109.43 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -130.43 109.65 10.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.909 0.884 . . . . 0.0 109.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.62 157.79 76.51 Favored Pre-proline 0 N--CA 1.454 -0.252 0 C-N-CA 123.779 0.831 . . . . 0.0 111.027 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.74 159.84 43.42 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.814 2.343 . . . . 0.0 112.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.35 -11.72 35.21 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 172.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.91 -15.65 61.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.961 1.304 . . . . 0.0 112.594 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.74 165.28 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.762 0.825 . . . . 0.0 111.156 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 159.78 14.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.113 0.565 . . . . 0.0 111.607 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.0 122.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.475 0.71 . . . . 0.0 110.059 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -153.61 174.19 14.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.106 0.962 . . . . 0.0 110.188 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.1 162.49 25.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.889 -0.507 . . . . 0.0 110.127 168.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.32 -25.2 67.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.99 0.516 . . . . 0.0 112.279 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -58.51 -43.61 89.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.976 0.911 . . . . 0.0 111.775 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.11 -29.93 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.486 0.714 . . . . 0.0 109.616 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 C-N-CA 124.022 0.929 . . . . 0.0 112.649 175.373 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.774 -0.631 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 112.62 25.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.948 0.794 . . . . 0.0 109.618 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.21 138.63 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.801 0.84 . . . . 0.0 109.459 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -135.05 154.7 51.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.989 0.916 . . . . 0.0 109.922 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.0 m -117.91 101.44 8.29 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.479 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.29 139.07 42.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.068 0.947 . . . . 0.0 110.927 -168.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -103.73 156.33 17.89 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.149 0.431 . . . . 0.0 110.608 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.05 124.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.571 0.748 . . . . 0.0 110.917 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.87 -5.18 72.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.214 0.911 . . . . 0.0 114.447 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.39 166.9 11.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.643 1.221 . . . . 0.0 111.301 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -137.2 148.99 46.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -168.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 31.8 mm -109.5 155.46 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.7 1.6 . . . . 0.0 109.652 169.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -127.43 138.33 52.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.656 1.182 . . . . 0.0 109.879 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mt -134.11 131.54 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.159 0.983 . . . . 0.0 109.474 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.64 -128.96 30.21 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -127.1 -0.27 6.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.911 0.885 . . . . 0.0 112.364 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -135.7 -17.76 1.69 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 139.03 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.697 0.68 . . . . 0.0 110.282 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 m -134.64 143.79 47.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.7 0.8 . . . . 0.0 109.185 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -125.8 138.8 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 108.204 -176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.6 m -134.12 132.89 40.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.293 0.497 . . . . 0.0 110.028 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -82.03 101.19 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 169.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.33 -30.29 63.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.104 -0.373 . . . . 0.0 110.17 -174.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.03 -176.78 43.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 113.73 0.252 . . . . 0.0 113.73 168.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.93 144.4 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.056 0.942 . . . . 0.0 111.044 -172.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -138.39 68.71 1.39 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.798 1.239 . . . . 0.0 109.898 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -118.05 6.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.85 -12.38 59.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.464 0.706 . . . . 0.0 112.149 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -105.55 149.79 25.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.822 0.82 . . . . 0.0 112.377 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.4 130.41 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 126.75 2.02 . . . . 0.0 108.202 -169.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -109.02 101.95 10.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.149 0.5 . . . . 0.0 110.702 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.66 135.38 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.429 1.491 . . . . 0.0 109.523 -172.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.33 137.91 14.23 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.772 0.701 . . . . 0.0 111.557 170.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.05 132.53 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.131 1.372 . . . . 0.0 108.377 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -118.9 76.89 1.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.697 1.199 . . . . 0.0 109.267 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 152.73 45.89 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.786 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.68 154.4 54.42 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.486 2.124 . . . . 0.0 110.474 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -68.01 -5.39 17.09 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.37 -25.59 65.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 0.0 112.274 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -115.18 144.0 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 121.899 0.857 . . . . 0.0 111.809 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.75 143.09 40.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.356 1.062 . . . . 0.0 111.503 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.26 120.35 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.525 0.73 . . . . 0.0 109.329 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -144.92 -175.96 4.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.293 1.037 . . . . 0.0 110.067 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 164.05 27.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.39 -34.26 68.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.41 1.484 . . . . 0.0 113.672 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -61.14 -19.91 62.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 112.296 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -122.3 -24.97 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 125.612 1.565 . . . . 0.0 110.792 -173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 121.367 -0.833 . . . . 0.0 110.479 -176.567 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.5 tpp . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -112.69 121.42 44.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.05 140.13 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -165.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -135.26 135.09 40.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.64 1.176 . . . . 0.0 110.818 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -102.43 105.37 15.94 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -121.86 145.16 48.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.556 1.142 . . . . 0.0 111.274 -168.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -91.18 159.47 16.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.437 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.94 130.01 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.197 0.522 . . . . 0.0 110.551 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.99 -5.67 72.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.974 -0.903 . . . . 0.0 114.63 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -87.26 161.65 17.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.208 1.504 . . . . 0.0 111.705 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -128.07 153.2 47.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.739 0.816 . . . . 0.0 111.987 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -132.76 155.16 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.167 1.387 . . . . 0.0 109.227 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -135.09 130.16 35.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.066 0.546 . . . . 0.0 110.893 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.66 135.63 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 117.071 -1.443 . . . . 0.0 107.373 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 26.4 118.32 0.0 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 115.842 -2.644 . . . . 0.0 110.029 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.46 4.95 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 120.846 3.647 . . . . 0.0 120.846 -155.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.5 m-20 -86.63 -23.74 25.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.911 1.284 . . . . 0.0 112.175 163.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.78 141.13 27.01 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 121.405 1.911 . . . . 0.0 112.822 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.7 m -134.75 150.53 50.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.254 1.422 . . . . 0.0 109.458 168.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -127.79 148.48 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.506 1.522 . . . . 0.0 108.321 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -141.01 125.8 18.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.768 0.427 . . . . 0.0 110.557 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.42 113.42 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.68 -32.02 28.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.883 -0.511 . . . . 0.0 110.167 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.22 178.68 38.59 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 113.445 0.138 . . . . 0.0 113.445 170.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.3 152.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.202 0.601 . . . . 0.0 110.952 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -134.98 76.93 1.65 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.558 1.143 . . . . 0.0 108.542 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.9 -119.39 5.05 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 9.69 42.96 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.953 0.501 . . . . 0.0 110.704 176.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.96 151.37 20.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.334 1.054 . . . . 0.0 110.034 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 t -139.76 112.06 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.603 0.761 . . . . 0.0 109.147 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -90.99 113.22 25.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.135 1.374 . . . . 0.0 109.233 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.36 134.51 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.793 1.237 . . . . 0.0 110.479 -168.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.73 140.5 15.07 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.418 0.532 . . . . 0.0 111.804 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.21 131.06 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.888 0.875 . . . . 0.0 109.25 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -130.72 74.98 1.63 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.166 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 156.32 51.98 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.043 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' B' ' 39' ' ' ASP . 25.2 Cg_endo -56.95 153.59 37.17 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.517 1.478 . . . . 0.0 110.205 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -66.01 -0.72 2.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.272 0.629 . . . . 0.0 111.911 170.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' B' ' 37' ' ' PRO . 2.1 t70 -65.94 -31.08 71.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.994 1.717 . . . . 0.0 111.981 173.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.37 144.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.408 1.083 . . . . 0.0 110.326 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.433 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -84.44 141.92 30.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.635 0.731 . . . . 0.0 111.786 169.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 t -144.62 98.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.665 -166.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.433 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -147.45 159.35 43.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.826 -0.546 . . . . 0.0 111.754 178.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.5 ptt-85 -65.11 157.37 28.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.702 0.401 . . . . 0.0 111.212 169.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.62 -39.66 74.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.04 -5.92 24.88 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mm -101.44 -51.44 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.036 0.934 . . . . 0.0 109.812 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -50.84 -36.92 40.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.912 1.285 . . . . 0.0 112.198 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.42 -22.19 62.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -78.12 -42.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.91 0.777 . . . . 0.0 110.201 169.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.96 -39.12 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.312 0.645 . . . . 0.0 109.262 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -81.19 4.96 18.39 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.99 -19.85 43.12 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.177 0.591 . . . . 0.0 111.518 168.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.28 48.53 0.08 OUTLIER Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.987 169.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.95 -176.39 2.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.732 0.766 . . . . 0.0 112.505 -168.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -128.05 -176.97 3.95 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.261 1.425 . . . . 0.0 109.577 168.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.96 123.38 1.97 Allowed Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.208 1.003 . . . . 0.0 111.536 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -62.29 173.32 3.42 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.908 2.405 . . . . 0.0 114.33 -170.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.194 0.998 . . . . 0.0 112.181 176.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.358 -0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 112.21 25.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 168.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.03 135.04 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.857 0.863 . . . . 0.0 110.029 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.57 134.86 48.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.154 0.982 . . . . 0.0 109.803 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -88.79 139.71 30.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.406 HH21 ' HB ' ' C' ' 22' ' ' ILE . 6.1 mtm180 -131.22 164.01 26.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.348 0.659 . . . . 0.0 109.418 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.477 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 10.1 tptm -114.85 153.19 30.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.56 132.25 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-N 119.52 1.055 . . . . 0.0 111.893 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.55 -4.4 72.88 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.967 1.27 . . . . 0.0 114.651 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.38 173.21 12.58 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.791 1.795 . . . . 0.0 113.295 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -143.95 155.54 44.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.212 1.405 . . . . 0.0 111.032 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.406 HG13 ' HD3' ' C' ' 6' ' ' ARG . 39.7 mm -142.11 149.78 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 126.344 1.858 . . . . 0.0 108.41 -171.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.36 140.57 49.01 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.596 0.758 . . . . 0.0 110.855 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -126.65 130.0 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 108.295 170.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.06 -135.15 52.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -168.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -123.94 10.0 8.82 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.853 0.861 . . . . 0.0 111.145 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -123.75 -16.87 6.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.232 1.013 . . . . 0.0 112.98 -169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.7 137.84 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.442 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -125.43 138.68 54.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.588 1.155 . . . . 0.0 109.506 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mm -120.02 142.0 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.121 0.968 . . . . 0.0 108.848 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -135.7 137.62 41.95 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.286 0.635 . . . . 0.0 110.505 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.406 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.3 tp -95.61 122.11 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -95.06 -37.41 11.11 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -177.27 43.65 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.004 -0.617 . . . . 0.0 114.291 168.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.53 148.36 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.574 0.75 . . . . 0.0 110.379 170.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.6 m -146.32 109.91 4.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.852 1.261 . . . . 0.0 107.939 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.65 -141.89 29.17 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.239 -169.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -86.96 6.03 34.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.796 0.838 . . . . 0.0 110.846 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.07 145.5 25.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.771 1.628 . . . . 0.0 111.105 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.47 126.02 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.877 0.871 . . . . 0.0 108.707 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -87.11 114.24 23.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -118.29 134.01 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 125.352 1.461 . . . . 0.0 108.845 -173.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.91 143.38 15.79 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.107 0.861 . . . . 0.0 111.836 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -131.25 122.15 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.747 1.219 . . . . 0.0 108.585 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -124.49 95.99 4.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.108 0.563 . . . . 0.0 110.18 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.83 158.15 76.13 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.467 1.107 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -62.19 152.54 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.625 2.217 . . . . 0.0 111.227 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.76 -0.87 2.39 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.482 0.713 . . . . 0.0 112.645 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.98 -22.31 66.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.276 1.031 . . . . 0.0 111.463 169.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.61 146.09 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.112 0.965 . . . . 0.0 110.522 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.13 155.48 23.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 122.695 0.398 . . . . 0.0 111.155 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.05 132.17 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -153.87 164.24 38.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.487 0.715 . . . . 0.0 111.261 -176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.501 HH21 HD23 ' D' ' 4' ' ' LEU . 7.7 ptp85 -81.9 158.57 23.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 166.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -60.12 -35.74 75.93 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -169.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.43 -14.47 61.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mm -97.34 -36.81 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.491 0.716 . . . . 0.0 110.634 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -51.29 -36.68 43.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.539 1.136 . . . . 0.0 112.655 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.4 -30.89 67.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 112.358 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -68.03 -36.76 80.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.572 0.749 . . . . 0.0 111.899 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.278 0 O-C-N 121.975 -0.453 . . . . 0.0 109.886 178.354 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.14 117.99 31.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.445 1.898 . . . . 0.0 108.955 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -111.22 138.89 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.142 1.377 . . . . 0.0 109.892 -169.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . 0.501 HD23 HH21 ' C' ' 44' ' ' ARG . 64.7 mt -136.69 159.23 42.46 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.502 1.521 . . . . 0.0 111.758 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.76 111.19 18.77 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 166.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.91 148.05 42.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.975 0.51 . . . . 0.0 110.277 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.86 159.54 23.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.158 0.583 . . . . 0.0 110.285 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -55.76 134.37 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.877 0.471 . . . . 0.0 111.205 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -1.57 78.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.097 0.856 . . . . 0.0 114.299 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.97 171.92 8.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.817 1.309 . . . . 0.0 112.01 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -129.5 156.04 44.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.0 160.24 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 127.458 2.303 . . . . 0.0 108.6 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -139.87 151.19 45.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.919 0.887 . . . . 0.0 112.786 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.31 139.13 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.096 1.358 . . . . 0.0 109.1 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.67 -139.12 48.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.52 8.71 10.75 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.837 0.855 . . . . 0.0 111.721 170.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -131.66 -12.53 3.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.25 138.27 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 118.723 0.692 . . . . 0.0 110.728 -172.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -122.46 145.96 47.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.441 1.096 . . . . 0.0 109.669 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -128.49 138.83 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.327 1.451 . . . . 0.0 107.862 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -134.69 128.99 34.08 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -85.76 110.46 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -84.8 -28.42 26.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.343 0.657 . . . . 0.0 110.713 -171.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -172.66 38.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.416 0.531 . . . . 0.0 112.826 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.99 160.71 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.627 0.771 . . . . 0.0 111.328 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -143.63 75.77 1.49 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.946 0.899 . . . . 0.0 110.191 171.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -115.22 4.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.477 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mp0 -91.63 -4.45 55.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.269 0.628 . . . . 0.0 110.091 170.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -77.2 156.52 31.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.427 0.632 . . . . 0.0 112.581 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.51 123.39 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.077 1.351 . . . . 0.0 107.566 169.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.91 119.94 34.29 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.453 1.101 . . . . 0.0 108.452 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.51 131.57 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 111.259 -167.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.94 142.15 16.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.389 0.995 . . . . 0.0 111.367 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.74 138.57 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -138.06 89.94 2.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.83 155.18 63.9 Favored Pre-proline 0 N--CA 1.45 -0.446 0 C-N-CA 124.768 1.227 . . . . 0.0 109.645 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.31 150.12 86.28 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.052 1.835 . . . . 0.0 110.535 169.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.45 -0.97 5.58 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 175.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.59 -23.07 66.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.848 1.259 . . . . 0.0 111.576 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.43 157.65 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.164 0.986 . . . . 0.0 110.531 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.72 157.01 16.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.76 123.12 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.879 0.471 . . . . 0.0 109.921 168.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -147.54 163.01 37.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.673 0.789 . . . . 0.0 111.212 174.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -60.46 157.22 14.46 Favored 'General case' 0 C--O 1.227 -0.131 0 O-C-N 121.923 -0.485 . . . . 0.0 110.178 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.46 -33.62 68.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.077 0.399 . . . . 0.0 110.98 169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -57.79 -54.51 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.128 1.371 . . . . 0.0 111.806 171.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.23 -39.39 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.901 0.88 . . . . 0.0 110.312 -174.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -53.08 -39.21 63.17 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.351 1.46 . . . . 0.0 112.116 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.77 -25.45 64.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.44 1.096 . . . . 0.0 112.656 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.18 -41.92 63.31 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.169 0.587 . . . . 0.0 110.471 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.456 -0.167 0 C-N-CA 125.379 1.472 . . . . 0.0 109.76 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.45 136.08 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.818 0.847 . . . . 0.0 109.762 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.25 165.01 22.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.548 1.539 . . . . 0.0 111.138 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 103.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 167.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -113.21 128.01 56.35 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.313 1.445 . . . . 0.0 109.894 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -87.15 164.82 16.17 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 119.402 1.001 . . . . 0.0 112.748 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -58.75 138.53 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.16 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.98 82.96 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 118.985 -0.897 . . . . 0.0 113.922 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -94.48 177.0 6.08 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.927 1.364 . . . . 0.0 112.109 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.3 m -134.28 158.47 43.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -169.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -139.96 158.3 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 126.99 2.116 . . . . 0.0 108.203 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -135.29 149.84 49.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -136.46 137.42 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.812 1.245 . . . . 0.0 108.947 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -138.28 49.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.51 5.2 10.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 111.744 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.4 -6.24 2.59 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.15 135.7 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.96 0.8 . . . . 0.0 110.762 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -126.86 140.77 52.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.442 1.097 . . . . 0.0 109.663 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -120.49 138.08 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.945 1.298 . . . . 0.0 108.328 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -133.27 125.09 28.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.113 0.565 . . . . 0.0 109.814 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.87 103.12 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.34 -29.92 60.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.032 -0.418 . . . . 0.0 111.018 -173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.81 -174.93 34.47 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 123.049 0.357 . . . . 0.0 113.911 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.76 159.56 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.141 0.976 . . . . 0.0 111.926 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.94 89.96 1.65 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.699 1.199 . . . . 0.0 109.356 169.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.45 -102.96 1.34 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.754 -0.591 . . . . 0.0 111.884 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -100.04 -21.47 15.6 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 117.731 0.766 . . . . 0.0 111.71 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -70.29 144.25 51.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.52 116.01 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -89.37 125.16 35.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -135.87 131.62 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.029 0.532 . . . . 0.0 110.493 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.79 141.71 15.77 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 124.394 0.997 . . . . 0.0 111.473 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -133.19 121.01 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 108.749 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -120.76 99.3 6.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.24 0.616 . . . . 0.0 109.39 -172.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.72 155.17 75.16 Favored Pre-proline 0 N--CA 1.451 -0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 110.641 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.38 158.98 42.11 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.998 2.465 . . . . 0.0 112.183 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -72.46 -1.06 14.31 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 171.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.54 -21.79 66.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.235 1.014 . . . . 0.0 111.455 168.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -124.38 159.24 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.55 158.64 15.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.144 177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 125.34 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 122.977 0.511 . . . . 0.0 110.197 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -151.09 169.81 20.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.117 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -69.0 154.93 41.23 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -61.25 -26.72 67.95 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.85 -49.16 74.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.544 1.138 . . . . 0.0 111.548 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.74 -34.53 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.192 0.997 . . . . 0.0 110.141 -171.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 124.562 1.145 . . . . 0.0 112.441 178.696 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mt -94.52 149.06 21.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.916 -0.49 . . . . 0.0 111.641 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.73 134.42 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 168.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -129.05 160.43 32.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.895 1.278 . . . . 0.0 109.507 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.15 97.76 4.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.6 160.99 20.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.099 0.56 . . . . 0.0 111.094 172.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -106.29 175.91 5.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.347 0.659 . . . . 0.0 111.572 -170.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.97 137.5 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.122 0.487 . . . . 0.0 112.221 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.56 83.91 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.145 0.879 . . . . 0.0 115.086 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -83.74 170.26 14.38 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.091 1.445 . . . . 0.0 112.122 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -133.66 153.35 51.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.495 0.718 . . . . 0.0 112.627 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -136.05 157.2 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 126.622 1.969 . . . . 0.0 107.612 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -131.04 150.31 52.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.482 0.713 . . . . 0.0 112.07 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.74 142.67 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.777 1.231 . . . . 0.0 109.021 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.84 -139.42 48.6 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -120.57 10.07 11.0 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.278 1.031 . . . . 0.0 112.458 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.15 -22.36 1.17 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.0 138.44 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.52 1.054 . . . . 0.0 111.059 -169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -127.6 144.33 51.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 110.653 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -125.84 130.96 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.412 1.485 . . . . 0.0 108.665 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -130.23 129.71 43.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.485 0.714 . . . . 0.0 110.209 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -87.27 113.0 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.59 -32.06 32.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.741 0.416 . . . . 0.0 110.385 -176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.12 -175.31 34.61 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.193 0.425 . . . . 0.0 113.544 168.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.12 153.88 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.02 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -142.35 90.02 2.21 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.124 1.37 . . . . 0.0 109.012 169.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -102.98 1.14 Allowed Glycine 0 CA--C 1.525 0.686 0 O-C-N 121.845 -0.534 . . . . 0.0 111.93 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.91 -22.41 16.34 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.645 0.723 . . . . 0.0 111.963 170.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -71.82 141.07 49.65 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.071 0.463 . . . . 0.0 110.087 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -131.21 113.75 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -87.02 123.85 32.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.77 135.41 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.868 0.867 . . . . 0.0 109.994 -168.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.12 137.38 13.66 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.975 0.797 . . . . 0.0 111.122 170.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -124.93 138.22 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 109.098 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -132.7 106.06 7.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.392 0.677 . . . . 0.0 109.653 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.81 158.05 73.57 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.33 162.32 36.8 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.017 2.478 . . . . 0.0 112.19 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.88 -12.46 60.7 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.589 0.756 . . . . 0.0 112.759 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -65.19 -20.5 66.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.929 1.292 . . . . 0.0 112.602 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -127.75 163.06 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.761 0.824 . . . . 0.0 111.108 -176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.83 162.07 13.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.358 0.663 . . . . 0.0 111.279 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 127.73 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.472 0.709 . . . . 0.0 109.864 171.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -154.97 171.3 19.94 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 109.961 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 161.67 27.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.75 -0.594 . . . . 0.0 109.921 168.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.47 -25.77 68.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -42.5 79.68 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 0.0 111.734 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -89.97 -31.26 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.985 0.914 . . . . 0.0 109.967 -173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 123.744 0.818 . . . . 0.0 112.775 179.313 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 ttp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 111.6 23.53 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.607 0.639 . . . . 0.0 109.534 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.65 134.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.367 0.667 . . . . 0.0 109.222 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.4 mt -133.73 153.61 51.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.45 1.1 . . . . 0.0 109.536 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -119.4 100.89 7.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -96.01 166.15 11.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.075 0.55 . . . . 0.0 110.379 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 159.06 35.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.138 0.575 . . . . 0.0 109.464 169.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -46.33 120.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.414 0.686 . . . . 0.0 111.036 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -14.51 57.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.722 1.153 . . . . 0.0 114.183 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.72 165.46 18.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.333 1.567 . . . . 0.0 112.399 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.7 m -135.7 152.83 51.56 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.434 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.0 mm -114.74 155.3 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 125.73 1.612 . . . . 0.0 109.611 169.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.59 137.91 53.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.707 1.203 . . . . 0.0 109.963 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.78 125.97 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.117 0.967 . . . . 0.0 109.336 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.62 -128.94 35.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -129.53 5.0 5.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.848 0.859 . . . . 0.0 112.976 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -121.91 -28.98 4.36 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.38 134.7 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.817 0.735 . . . . 0.0 110.508 -170.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -129.49 141.53 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.762 0.825 . . . . 0.0 109.903 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -123.4 141.55 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.957 1.303 . . . . 0.0 108.279 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -137.46 136.68 37.99 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.22 100.8 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -26.33 58.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.792 -0.568 . . . . 0.0 111.248 -168.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.64 43.73 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 118.106 0.412 . . . . 0.0 113.646 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.76 151.07 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.801 0.84 . . . . 0.0 111.368 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -139.56 63.12 1.5 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.352 1.061 . . . . 0.0 110.096 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.17 -120.73 5.51 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HB3' ' HE2' ' B' ' 7' ' ' LYS . 33.0 tt0 -82.12 -11.37 58.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.188 0.595 . . . . 0.0 112.299 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -101.21 149.12 24.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.896 0.855 . . . . 0.0 113.233 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.14 128.03 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 126.625 1.97 . . . . 0.0 108.411 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -94.72 101.93 13.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.155 0.982 . . . . 0.0 109.416 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -108.02 136.74 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.097 0.959 . . . . 0.0 109.475 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.53 138.01 14.55 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.039 0.828 . . . . 0.0 111.677 170.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.42 135.21 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.034 1.334 . . . . 0.0 108.598 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -126.54 75.04 1.51 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 122.131 0.967 . . . . 0.0 109.675 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.34 154.15 38.53 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.154 -1.384 . . . . 0.0 110.765 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.06 154.91 52.72 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.665 2.243 . . . . 0.0 110.439 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -68.82 -3.91 14.22 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.34 -25.45 65.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.871 0.868 . . . . 0.0 111.952 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -116.37 144.08 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.828 0.823 . . . . 0.0 111.587 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.09 143.03 34.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.925 0.89 . . . . 0.0 110.748 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.97 126.21 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 170.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -150.99 157.16 42.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.684 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -74.14 162.53 28.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.598 0.359 . . . . 0.0 111.517 169.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -73.27 -25.52 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 O-C-N 122.006 -0.434 . . . . 0.0 112.057 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.8 -19.97 64.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.837 1.255 . . . . 0.0 112.751 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -120.58 -26.33 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.386 1.074 . . . . 0.0 110.968 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.26 -32.04 71.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.25 -0.906 . . . . 0.0 110.792 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -75.96 -17.49 59.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.732 0.813 . . . . 0.0 111.787 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.42 -35.07 31.11 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.185 0.994 . . . . 0.0 111.19 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.31 -51.76 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.724 0.81 . . . . 0.0 109.532 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -81.3 5.16 18.08 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.575 0.75 . . . . 0.0 112.25 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.99 70.79 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 25.3 0.22 Allowed Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.484 -0.62 . . . . 0.0 113.532 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -123.1 -178.17 3.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.982 1.313 . . . . 0.0 109.655 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 p 64.1 167.59 0.16 Allowed 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 126.031 1.732 . . . . 0.0 112.861 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.01 152.68 47.93 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 111.341 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.12 164.58 32.85 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.455 2.77 . . . . 0.0 112.241 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.45 -0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 111.54 -175.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -129.16 115.24 17.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.461 1.505 . . . . 0.0 108.213 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.06 138.55 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.86 0.864 . . . . 0.0 111.389 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -141.72 146.13 35.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.831 1.253 . . . . 0.0 111.066 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -91.51 129.18 37.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 166.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -122.85 127.67 49.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.396 0.679 . . . . 0.0 110.029 170.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 28' ' ' GLN . 26.8 mttt -77.33 153.45 33.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.97 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 28.1 m -57.26 129.84 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.491 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.57 -8.92 64.31 Favored Glycine 0 CA--C 1.527 0.781 0 CA-C-O 119.057 -0.857 . . . . 0.0 114.868 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -88.48 165.2 15.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.126 1.463 . . . . 0.0 111.771 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.38 156.95 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mm -135.81 152.21 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 127.157 2.183 . . . . 0.0 108.514 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.39 141.93 49.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.529 1.132 . . . . 0.0 110.64 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.29 128.67 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.132 0.973 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.99 -134.05 52.5 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.74 4.98 6.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.744 0.818 . . . . 0.0 112.731 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -114.73 -21.34 10.24 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.62 136.22 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.94 0.791 . . . . 0.0 111.146 -169.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -131.27 147.9 52.63 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.656 1.182 . . . . 0.0 110.012 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.4 mm -129.19 141.61 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.918 1.687 . . . . 0.0 108.031 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -138.61 128.68 25.47 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.846 0.459 . . . . 0.0 110.241 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.27 113.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -81.47 -32.26 32.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.943 -0.473 . . . . 0.0 111.052 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.12 -178.7 36.96 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 113.345 0.098 . . . . 0.0 113.345 170.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -113.56 155.2 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.235 0.614 . . . . 0.0 111.004 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -139.18 81.0 1.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.941 0.897 . . . . 0.0 108.907 170.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.26 -116.52 4.22 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -102.89 12.62 35.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.594 0.757 . . . . 0.0 110.703 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.02 155.92 17.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.875 0.87 . . . . 0.0 110.669 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -144.1 112.18 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.588 1.155 . . . . 0.0 108.817 -169.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.12 119.31 28.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 0.0 109.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.27 133.19 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.208 1.003 . . . . 0.0 109.924 -169.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.12 138.29 13.85 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.52 133.59 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.748 0.819 . . . . 0.0 109.362 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -133.06 76.87 1.71 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.416 -168.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.18 157.33 64.56 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 113.915 -1.493 . . . . 0.0 109.766 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.32 156.82 38.64 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.135 1.89 . . . . 0.0 111.199 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -68.72 -0.82 5.77 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.825 0.85 . . . . 0.0 112.237 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.79 -26.76 67.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.151 1.38 . . . . 0.0 111.284 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.45 144.07 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.461 1.105 . . . . 0.0 110.169 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.432 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -87.22 142.05 28.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.542 0.687 . . . . 0.0 111.182 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.71 98.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.92 -166.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.432 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -146.75 158.55 43.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.968 -0.457 . . . . 0.0 112.07 178.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.4 ptt-85 -64.48 156.23 30.28 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.111 0.564 . . . . 0.0 111.209 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -54.94 -41.57 71.21 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.341 0.656 . . . . 0.0 112.684 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.64 -23.11 67.24 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.06 -50.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.113 0.565 . . . . 0.0 110.601 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -47.11 -42.48 19.23 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.54 0.736 . . . . 0.0 110.925 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.46 -12.0 60.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -169.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -88.82 -36.38 16.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 119.516 1.053 . . . . 0.0 112.129 169.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -64.12 -61.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.196 0.998 . . . . 0.0 112.654 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.74 2.49 3.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.73 -0.606 . . . . 0.0 112.568 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.34 -19.38 60.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.316 0.646 . . . . 0.0 112.008 170.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.24 34.8 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 CA-C-O 119.321 -0.71 . . . . 0.0 114.348 169.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -166.25 -175.93 3.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.158 0.979 . . . . 0.0 112.75 -167.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.413 HG21 ' H ' ' B' ' 57' ' ' ALA . 2.9 m -133.54 -176.8 4.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.604 1.162 . . . . 0.0 109.139 169.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.413 ' H ' HG21 ' B' ' 56' ' ' THR . . . -39.52 123.91 1.43 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.069 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -41.26 -44.15 5.52 Favored 'Trans proline' 0 N--CA 1.452 -0.932 1 C-N-CA 126.025 4.484 . . . . 0.0 117.858 -168.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -167.216 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 109.93 20.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 166.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.07 134.96 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.655 0.782 . . . . 0.0 109.796 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.54 134.89 50.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.074 0.95 . . . . 0.0 109.263 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -89.28 143.84 26.54 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 169.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -145.97 123.89 12.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -73.56 149.94 41.81 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -56.37 136.72 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 118.84 0.746 . . . . 0.0 111.444 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -6.73 82.67 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.519 1.057 . . . . 0.0 114.411 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -87.37 172.43 9.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.222 1.511 . . . . 0.0 111.898 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -129.06 159.64 35.3 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -168.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.23 159.65 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 127.482 2.313 . . . . 0.0 108.245 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -132.56 149.15 52.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.044 0.938 . . . . 0.0 112.17 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.53 136.67 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.703 1.201 . . . . 0.0 108.963 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.58 -139.85 44.36 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.656 0.646 . . . . 0.0 111.593 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -121.56 10.0 10.34 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.084 0.953 . . . . 0.0 112.095 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.55 -14.46 7.78 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.92 137.59 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.003 0.82 . . . . 0.0 111.465 -169.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -123.05 138.99 54.53 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.75 1.22 . . . . 0.0 109.336 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -118.11 139.55 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.803 1.241 . . . . 0.0 108.359 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -134.03 129.0 35.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.92 -0.488 . . . . 0.0 110.389 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 tp -83.35 120.91 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.33 -39.39 10.06 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -172.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.47 179.69 43.45 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.746 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.36 151.81 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.296 0.639 . . . . 0.0 110.21 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -149.36 96.99 2.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.83 -139.86 24.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -168.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.6 2.05 39.2 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.927 0.491 . . . . 0.0 111.319 167.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 148.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.209 1.004 . . . . 0.0 110.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.32 114.17 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -82.51 112.81 19.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.4 136.44 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.028 1.331 . . . . 0.0 109.61 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.61 138.62 14.5 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 124.344 0.973 . . . . 0.0 111.569 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -126.26 118.88 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 124.359 1.064 . . . . 0.0 108.688 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -119.16 97.78 5.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.984 0.514 . . . . 0.0 110.171 -173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.69 157.19 72.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.465 1.106 . . . . 0.0 110.123 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.32 151.09 84.58 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.669 2.246 . . . . 0.0 111.087 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.18 -0.94 2.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.414 0.685 . . . . 0.0 112.644 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.89 -22.78 66.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.348 1.059 . . . . 0.0 111.424 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.48 147.65 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.229 1.012 . . . . 0.0 110.49 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.6 156.84 19.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.638 0.375 . . . . 0.0 111.364 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 m -138.3 131.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.302 0.641 . . . . 0.0 109.68 171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -157.0 160.66 39.23 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.026 0.531 . . . . 0.0 112.088 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -70.3 153.2 43.31 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.69 -31.91 72.89 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.997 0.817 . . . . 0.0 111.738 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.08 -22.32 63.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.06 -35.6 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.566 0.746 . . . . 0.0 110.451 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.77 -32.79 60.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.994 0.918 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.87 -25.3 68.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -69.45 -37.66 77.43 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.233 0.613 . . . . 0.0 111.311 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.43 -19.0 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 O-C-N 122.11 -0.369 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -94.2 -0.44 55.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.907 0.883 . . . . 0.0 112.94 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -4.81 59.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.676 0.791 . . . . 0.0 113.061 -174.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.89 -129.33 1.68 Allowed Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 18.8 mt 62.78 20.93 12.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.744 1.217 . . . . 0.0 113.313 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.5 p -77.27 -16.56 58.94 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.928 0.891 . . . . 0.0 112.277 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.73 139.0 34.06 Favored Pre-proline 0 N--CA 1.451 -0.388 0 C-N-CA 124.289 1.036 . . . . 0.0 110.035 169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -64.39 175.68 3.23 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.18 2.586 . . . . 0.0 113.004 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 123.888 0.875 . . . . 0.0 112.489 177.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.0 tpp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.61 112.19 20.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.865 1.666 . . . . 0.0 107.863 168.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.2 140.93 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.621 1.168 . . . . 0.0 109.746 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -155.48 156.61 35.56 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.862 0.865 . . . . 0.0 110.984 172.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.3 145.57 24.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.24 144.24 44.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.69 0.796 . . . . 0.0 109.139 167.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -80.91 158.71 25.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -61.0 133.39 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.245 0.545 . . . . 0.0 111.254 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.25 -0.97 81.99 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.988 0.804 . . . . 0.0 113.739 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.66 167.62 12.77 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.6 1.2 . . . . 0.0 112.093 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -122.18 161.83 22.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -168.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -150.28 162.0 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 128.109 2.563 . . . . 0.0 108.075 -168.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -143.09 152.98 42.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.935 0.894 . . . . 0.0 112.567 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -134.94 140.57 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.787 1.235 . . . . 0.0 109.196 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.61 50.2 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -126.16 9.97 7.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.116 0.966 . . . . 0.0 111.565 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -135.22 -13.33 2.09 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.29 137.23 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 118.753 0.706 . . . . 0.0 110.416 -171.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 49.5 m -117.58 145.12 44.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.189 0.996 . . . . 0.0 109.409 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -128.75 144.25 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.87 1.268 . . . . 0.0 107.75 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -137.73 138.96 39.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.26 105.59 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 169.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 mt -78.96 -33.57 45.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.463 -0.773 . . . . 0.0 111.203 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.31 -175.08 44.36 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 118.065 0.393 . . . . 0.0 113.058 169.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.7 158.18 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.163 0.585 . . . . 0.0 111.238 169.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -144.12 79.93 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.091 0.956 . . . . 0.0 109.478 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -116.9 4.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.417 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mt-30 -90.59 -8.45 50.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.612 0.765 . . . . 0.0 110.604 172.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -79.81 159.36 26.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.671 0.748 . . . . 0.0 112.356 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.92 125.27 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 125.303 1.441 . . . . 0.0 108.487 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -79.61 114.49 18.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.47 125.03 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.48 134.11 11.62 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.14 140.42 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.828 0.851 . . . . 0.0 108.923 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -138.05 89.94 2.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.356 0.663 . . . . 0.0 109.239 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.13 67.16 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.463 1.105 . . . . 0.0 109.396 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.32 150.52 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 121.805 1.67 . . . . 0.0 110.274 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -64.5 -0.99 1.53 Allowed 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.43 0.692 . . . . 0.0 112.374 169.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.84 -24.57 66.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.102 1.361 . . . . 0.0 111.248 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.58 159.3 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.456 1.103 . . . . 0.0 110.67 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.13 157.04 16.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 112.255 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.18 125.0 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 168.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -148.76 165.86 30.17 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.212 0.605 . . . . 0.0 111.469 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.3 156.53 28.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.105 0.562 . . . . 0.0 110.158 168.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.74 -38.67 85.93 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.492 0.587 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pm0 -69.03 -19.72 64.11 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mm -92.83 -40.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.93 0.892 . . . . 0.0 111.1 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -46.37 -38.08 8.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.32 1.448 . . . . 0.0 111.894 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.57 -25.45 68.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.586 1.154 . . . . 0.0 113.617 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.25 -48.51 34.26 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 119.132 0.878 . . . . 0.0 109.818 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mp -62.01 -34.67 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.902 0.481 . . . . 0.0 110.243 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 0.41 43.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.902 0.481 . . . . 0.0 111.685 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.27 -7.9 59.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.216 1.006 . . . . 0.0 112.212 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.12 45.92 0.44 Allowed Glycine 0 CA--C 1.525 0.697 0 CA-C-O 119.484 -0.62 . . . . 0.0 114.236 169.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.68 176.4 10.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.111 0.956 . . . . 0.0 112.116 -169.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -147.7 94.81 2.41 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.54 1.136 . . . . 0.0 108.697 167.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.04 82.95 0.21 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 126.221 1.809 . . . . 0.0 114.012 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -62.69 169.69 8.17 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.553 2.835 . . . . 0.0 114.178 -172.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.455 -0.225 0 C-N-CA 124.365 1.066 . . . . 0.0 112.702 178.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ttt . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 106.822 -1.548 . . . . 0.0 106.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tt -100.93 125.0 47.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 121.637 2.017 . . . . 0.0 110.531 170.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.09 134.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.901 1.28 . . . . 0.0 108.74 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -138.44 164.69 28.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.624 1.169 . . . . 0.0 111.15 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.17 98.24 4.36 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 168.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -105.04 132.34 51.4 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.514 1.526 . . . . 0.0 111.745 -169.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -80.54 157.2 26.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -61.25 136.03 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.292 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.11 -2.75 84.08 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.06 0.838 . . . . 0.0 114.249 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.04 168.18 10.77 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.842 1.321 . . . . 0.0 111.487 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -129.34 159.84 34.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -137.72 158.1 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 126.902 2.081 . . . . 0.0 107.852 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -136.59 148.66 47.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 112.804 -174.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -137.71 137.11 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.658 1.183 . . . . 0.0 109.061 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -137.67 49.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 10.06 7.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.881 0.873 . . . . 0.0 112.46 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -126.89 -12.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.43 136.24 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.153 0.888 . . . . 0.0 111.268 -169.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -126.27 141.23 52.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.706 1.203 . . . . 0.0 109.809 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -120.47 142.03 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.236 1.415 . . . . 0.0 108.06 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.0 m -137.98 127.85 25.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.709 0.404 . . . . 0.0 109.946 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.26 106.45 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.75 -31.87 59.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 110.605 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.2 -177.56 34.0 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 122.961 0.315 . . . . 0.0 113.557 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.44 155.87 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.737 0.815 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.27 89.97 1.77 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.493 1.117 . . . . 0.0 109.333 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.71 -112.13 4.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.29 -22.93 20.31 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.511 0.655 . . . . 0.0 111.611 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.66 146.53 44.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.387 0.613 . . . . 0.0 110.113 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.39 117.21 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -88.04 124.35 33.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.45 127.63 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.778 0.831 . . . . 0.0 110.323 -168.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.6 140.18 15.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.137 0.875 . . . . 0.0 111.497 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.82 119.15 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.025 1.33 . . . . 0.0 108.721 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -122.24 99.0 6.19 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.08 0.552 . . . . 0.0 109.595 -171.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.56 155.76 73.49 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.435 1.094 . . . . 0.0 110.445 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.97 159.46 33.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -68.47 -0.97 5.6 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 123.483 0.713 . . . . 0.0 112.675 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.83 -24.47 67.56 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.883 1.273 . . . . 0.0 111.565 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.3 153.51 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.318 1.047 . . . . 0.0 110.509 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.92 157.46 18.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.79 128.85 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 122.753 0.421 . . . . 0.0 110.293 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -148.13 167.87 23.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.765 1.226 . . . . 0.0 109.051 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -72.44 159.19 34.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.263 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.81 -18.92 65.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.048 0.539 . . . . 0.0 111.948 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.69 -51.22 68.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.948 0.899 . . . . 0.0 112.113 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -75.31 -35.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.534 0.734 . . . . 0.0 109.796 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -54.99 -36.19 65.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 112.149 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -72.29 -21.94 61.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -74.62 -27.64 60.54 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.098 0.559 . . . . 0.0 110.815 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 79.4 mt -90.93 -36.67 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.948 1.299 . . . . 0.0 110.166 -172.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -80.1 3.07 21.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.756 1.222 . . . . 0.0 113.434 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 4.0 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.953 1.301 . . . . 0.0 114.509 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.79 40.5 1.31 Allowed Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.694 -0.629 . . . . 0.0 112.323 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.65 -55.63 0.18 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -170.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m 49.41 25.72 1.41 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.982 1.313 . . . . 0.0 113.011 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.65 127.44 2.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.827 1.251 . . . . 0.0 109.504 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.9 141.94 44.36 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.113 2.542 . . . . 0.0 113.365 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 124.983 1.313 . . . . 0.0 114.366 169.472 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 119.876 -0.107 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.12 151.05 20.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.048 -0.408 . . . . 0.0 111.542 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.85 124.55 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 168.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.09 154.26 26.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.161 1.784 . . . . 0.0 108.996 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 105.76 10.81 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 168.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 128.38 56.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.047 1.339 . . . . 0.0 109.981 -169.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -93.52 164.82 13.03 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.204 0.911 . . . . 0.0 112.624 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -57.9 135.53 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.56 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.3 -4.08 80.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 114.156 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -97.03 169.8 9.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.548 1.174 . . . . 0.0 111.575 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.93 166.71 22.7 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -169.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -145.63 150.47 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 126.939 2.095 . . . . 0.0 108.362 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.84 47.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.39 0.541 . . . . 0.0 112.307 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -135.59 137.18 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.316 1.446 . . . . 0.0 109.033 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.53 -132.77 47.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -122.98 5.29 9.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.786 0.834 . . . . 0.0 112.008 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -141.13 -18.54 0.81 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.93 127.36 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 119.339 0.972 . . . . 0.0 110.268 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -118.34 137.6 52.98 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.587 0.755 . . . . 0.0 110.07 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mm -117.06 143.07 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.041 1.336 . . . . 0.0 108.407 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -137.91 131.41 30.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.464 0.706 . . . . 0.0 109.853 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.59 110.72 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -82.39 -28.28 31.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.396 0.678 . . . . 0.0 110.914 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.18 -176.9 33.47 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 123.73 0.681 . . . . 0.0 112.908 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.56 147.66 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.313 0.645 . . . . 0.0 111.369 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -137.52 89.84 2.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.506 1.122 . . . . 0.0 108.366 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.73 -119.16 11.41 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.1 -17.9 38.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.658 0.783 . . . . 0.0 112.528 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 146.11 29.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.431 0.634 . . . . 0.0 110.175 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.84 123.04 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -87.88 120.91 29.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.08 143.09 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 124.138 0.975 . . . . 0.0 110.162 -168.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 141.75 14.47 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 124.177 0.894 . . . . 0.0 111.865 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.25 131.73 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.866 1.267 . . . . 0.0 109.194 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -127.37 106.42 9.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.09 0.956 . . . . 0.0 109.193 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.7 157.06 77.77 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.796 0.839 . . . . 0.0 111.713 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.49 161.1 39.73 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 123.083 2.522 . . . . 0.0 112.08 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -71.18 -4.29 24.75 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.26 0.624 . . . . 0.0 112.642 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.58 -20.51 63.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.737 1.215 . . . . 0.0 112.512 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.89 164.34 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.671 0.789 . . . . 0.0 111.394 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.52 162.56 13.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.378 0.671 . . . . 0.0 111.444 170.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 127.0 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.342 0.657 . . . . 0.0 110.121 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -153.38 172.12 17.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.275 1.03 . . . . 0.0 110.14 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.42 162.67 27.03 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.725 -0.609 . . . . 0.0 109.809 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -60.58 -29.67 69.33 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.73 -43.15 76.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.165 0.986 . . . . 0.0 111.922 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -90.99 -31.75 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.192 0.997 . . . . 0.0 110.276 -172.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -50.57 -33.2 20.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.376 1.07 . . . . 0.0 112.808 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.33 -21.84 60.38 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.667 1.187 . . . . 0.0 112.831 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -77.87 -22.69 49.43 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 126.106 1.762 . . . . 0.0 112.652 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.63 -62.19 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.233 1.013 . . . . 0.0 112.882 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 2.96 40.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -168.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.18 4.11 3.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.29 28.36 4.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.848 1.213 . . . . 0.0 111.453 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . 0.427 ' C ' ' H ' ' F' ' 57' ' ' ALA . 32.8 mt -125.29 -164.26 1.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.181 1.392 . . . . 0.0 109.399 -168.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 67.69 -14.73 0.21 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.423 1.489 . . . . 0.0 113.624 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' F' ' 55' ' ' LEU . . . -130.58 96.7 23.12 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 125.019 1.328 . . . . 0.0 109.544 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -67.61 -179.81 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.147 2.565 . . . . 0.0 113.612 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 124.436 1.094 . . . . 0.0 112.612 176.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 O4'-C1'-N19 111.428 3.228 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.467 3.267 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.696 4.496 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.909 3.709 . 0.213 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C5'-C4'-C3' 110.176 -3.549 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 109.306 -4.129 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-C3' 110.215 -3.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C3'-C2'-C1' 104.228 3.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O5'-C5'-C4' 113.38 2.272 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C5'-C4'-C3' 110.14 -3.573 . 0.073 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 0 O5'-C5'-C4' 114.367 2.976 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.455 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C5'-C4'-C3' 111.764 -2.491 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 C5'-C4'-C3' 108.264 -4.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 C4'-C3'-C2' 99.536 -3.164 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 111.59 3.39 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 O4'-C1'-N19 110.847 2.647 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 112.942 -1.705 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 113.588 5.388 . 0.526 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 1 C1'-O4'-C4' 104.842 -5.286 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.822 4.622 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 1 O4'-C1'-N19 112.584 4.384 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.077 -2.623 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.476 4.276 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 112.089 3.889 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 N19-C1'-C2' 109.082 -2.699 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.225 3.025 . 0.539 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.114 -2.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C5'-C4'-C3' 112.349 -2.101 . 0.047 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-C3' 111.13 -2.913 OUTLIER-DELTA 0.019 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 O4'-C1'-N19 111.236 3.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C4'-C3'-C2' 100.352 -2.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.15 2.95 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 O4'-C1'-N19 112.42 4.22 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 C3'-C2'-C1' 105.182 4.091 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.957 4.757 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 1 O4'-C1'-N19 112.57 4.37 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 110.835 -3.11 . 0.62 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C5'-C4'-C3' 111.331 -2.779 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C3'-C2'-C1' 103.606 2.34 . 0.227 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 113.287 5.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.392 1 C5'-C4'-C3' 108.785 -4.477 . 0.047 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 O4'-C1'-N19 112.317 4.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.438 0 O4'-C1'-N19 112.087 3.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.607 3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.497 4.297 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . 0.406 ' OP2' ' HE3' ' B' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.433 -3.267 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.253 3.053 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.443 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 C3'-C2'-C1' 105.909 4.899 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.443 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 105.042 3.936 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . 0.413 ' P ' HO2' ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.157 2.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C3'-C2'-C1' 103.788 2.542 . 0.485 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 1 O5'-C5'-C4' 116.614 4.581 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 111.797 -2.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 O4'-C1'-N19 112.173 3.973 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.073 -2.627 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.137 2.937 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.744 4.544 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 1 O4'-C1'-N19 113.675 5.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 112.176 3.976 . 0.143 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 0 O4'-C1'-N19 111.142 2.942 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 111.442 3.242 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.045 2.828 . 0.446 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.451 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C3'-C2'-C1' 105.064 3.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.451 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C4'-C3'-C2' 99.834 -2.866 . 0.094 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 110.427 2.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C5'-C4'-C3' 111.915 -2.39 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 2 C5'-C4'-C3' 106.218 -6.188 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.368 1 P-O3'-C3' 125.732 5.027 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.009 -2.691 . 0.928 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O4'-C1'-N19 112.06 3.86 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.078 2.878 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 110.58 23.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.491 0.716 . . . . 0.0 109.207 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.09 130.22 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.78 160.26 33.99 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.345 1.058 . . . . 0.0 109.795 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.5 m -123.71 128.91 50.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.6 171.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.775 0.83 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -133.75 157.09 46.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.64 118.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-O 120.531 0.205 . . . . 0.0 110.625 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.97 -5.39 50.25 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.575 1.083 . . . . 0.0 114.838 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -94.85 168.67 10.66 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.045 1.423 . . . . 0.0 112.229 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -139.92 154.29 47.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.62 156.32 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 125.984 1.714 . . . . 0.0 109.438 170.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.21 139.94 52.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.49 1.116 . . . . 0.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.2 mt -133.99 131.74 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.169 0.988 . . . . 0.0 109.494 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.62 -131.77 34.74 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 5.04 4.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.898 0.879 . . . . 0.0 112.912 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -127.2 -24.86 3.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -100.1 138.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 118.759 0.709 . . . . 0.0 110.539 -169.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.66 146.05 45.51 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.7 0.8 . . . . 0.0 109.591 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -127.6 140.76 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.705 1.202 . . . . 0.0 108.304 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -138.21 136.11 36.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.471 0.578 . . . . 0.0 110.36 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -85.53 100.62 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.64 -31.35 63.46 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.155 -0.34 . . . . 0.0 110.128 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.5 -170.69 43.24 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 122.997 0.332 . . . . 0.0 112.938 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.2 158.47 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.561 0.745 . . . . 0.0 111.98 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -140.38 70.1 1.36 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.968 1.307 . . . . 0.0 109.823 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.69 -118.66 5.82 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.35 -6.15 52.23 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.416 0.686 . . . . 0.0 111.609 173.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.95 157.88 16.02 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.926 0.869 . . . . 0.0 112.627 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.0 t -143.09 125.5 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 126.709 2.004 . . . . 0.0 107.939 -169.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -110.24 101.99 10.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.383 0.611 . . . . 0.0 110.622 -172.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -106.63 135.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.563 1.545 . . . . 0.0 109.611 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.28 139.55 14.86 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 123.806 0.717 . . . . 0.0 111.532 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.98 133.98 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.293 1.437 . . . . 0.0 108.156 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -122.06 75.0 1.19 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.6 1.16 . . . . 0.0 109.206 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.35 153.82 42.53 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 125.102 1.361 . . . . 0.0 110.805 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.41 153.9 55.68 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.6 2.2 . . . . 0.0 110.497 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.6 -4.15 14.35 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.09 -25.41 64.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.961 0.904 . . . . 0.0 112.135 169.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.87 144.07 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.727 0.775 . . . . 0.0 111.505 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.47 143.05 29.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.888 0.875 . . . . 0.0 110.707 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.67 128.79 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 122.647 0.379 . . . . 0.0 110.413 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -150.32 -175.9 5.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.696 1.198 . . . . 0.0 109.714 -172.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -129.12 167.46 17.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 171.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.02 -37.58 83.06 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.43 -5.82 35.67 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -119.21 -26.88 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.994 1.318 . . . . 0.0 111.09 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.27 -30.73 71.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.481 -0.762 . . . . 0.0 110.334 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.29 -13.78 60.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.791 0.837 . . . . 0.0 111.552 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.2 -34.3 32.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.645 1.178 . . . . 0.0 110.748 169.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -63.48 -53.65 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -84.03 5.08 27.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.882 0.873 . . . . 0.0 112.59 -175.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.08 63.31 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.487 0.315 . . . . 0.0 111.18 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.74 2.85 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.287 -0.729 . . . . 0.0 113.219 172.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.6 90.53 8.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 118.799 1.299 . . . . 0.0 107.621 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 p 151.01 -27.91 0.01 OUTLIER 'General case' 0 C--O 1.23 0.058 0 C-N-CA 128.035 2.534 . . . . 0.0 110.511 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 153.14 39.87 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.369 1.068 . . . . 0.0 113.862 -167.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -70.19 -179.75 3.33 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.114 2.543 . . . . 0.0 112.662 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.727 1.211 . . . . 0.0 111.0 -173.561 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -110.46 121.93 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.11 139.8 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 122.804 0.442 . . . . 0.0 111.56 -166.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.1 mt -135.52 135.03 40.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.266 1.027 . . . . 0.0 111.117 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.459 ' HB ' ' H42' ' G' ' 47' ' ' ' C' . 26.2 m -94.37 121.54 36.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.84 160.54 24.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.329 1.452 . . . . 0.0 109.028 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -120.23 163.01 18.42 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 119.215 0.916 . . . . 0.0 111.122 167.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -62.66 125.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 121.383 0.611 . . . . 0.0 110.464 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.63 -4.59 58.09 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-O 118.812 -0.994 . . . . 0.0 115.083 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.92 166.38 13.98 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.407 1.603 . . . . 0.0 111.447 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -129.87 153.99 47.75 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.727 0.811 . . . . 0.0 112.324 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 19.4 mt -131.38 154.41 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.539 1.936 . . . . 0.0 109.43 -175.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -135.63 139.65 43.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.728 -0.607 . . . . 0.0 111.705 -173.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -133.07 128.23 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.344 1.058 . . . . 0.0 109.505 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -135.12 52.08 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.09 4.9 6.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.793 0.837 . . . . 0.0 112.775 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.78 -21.3 11.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.66 135.26 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.847 0.749 . . . . 0.0 111.283 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -130.21 149.26 51.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.919 1.288 . . . . 0.0 109.652 170.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.49 146.46 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.764 1.625 . . . . 0.0 108.002 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -138.64 132.38 30.84 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.078 -0.389 . . . . 0.0 110.257 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.42 96.74 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.63 -31.81 71.22 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.933 -0.479 . . . . 0.0 111.133 -174.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.87 -174.58 37.52 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 113.399 0.12 . . . . 0.0 113.399 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -114.72 152.03 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.246 0.618 . . . . 0.0 110.961 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -132.91 77.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.87 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -115.8 4.09 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.442 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.23 16.7 24.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 111.488 171.065 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -99.01 159.08 15.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.41 1.084 . . . . 0.0 109.63 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.19 118.6 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.415 1.086 . . . . 0.0 109.498 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.29 123.65 36.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.046 1.338 . . . . 0.0 109.608 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.0 131.06 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.052 0.941 . . . . 0.0 110.324 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.18 138.71 14.18 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.9 131.4 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.842 0.83 . . . . 0.0 109.543 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 74.97 1.6 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.495 -1.229 . . . . 0.0 109.505 -168.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.16 157.15 51.64 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.357 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.33 155.35 41.26 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.732 1.621 . . . . 0.0 109.825 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -0.84 11.2 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.879 0.847 . . . . 0.0 111.136 174.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.71 -25.36 67.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.301 1.84 . . . . 0.0 111.257 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.65 144.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.456 1.102 . . . . 0.0 109.999 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.88 141.63 30.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.663 0.744 . . . . 0.0 111.487 170.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.43 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 6.1 t -143.55 99.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.509 -167.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 156.95 44.44 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.234 0.54 . . . . 0.0 112.335 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -62.53 153.15 32.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.616 0.766 . . . . 0.0 111.011 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -55.26 -40.01 70.46 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.098 0.559 . . . . 0.0 112.421 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -64.97 -17.0 64.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -91.63 -50.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.047 0.939 . . . . 0.0 110.592 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -51.22 -36.25 40.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.299 1.04 . . . . 0.0 111.857 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -70.73 -20.78 62.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.59 -39.93 26.68 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.481 1.037 . . . . 0.0 110.33 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.15 -40.77 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -80.45 5.0 16.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.79 38.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 111.75 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.36 45.74 0.07 OUTLIER Glycine 0 C--N 1.339 0.699 0 CA-C-O 119.312 -0.716 . . . . 0.0 114.711 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.05 -176.08 2.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.065 0.933 . . . . 0.0 113.021 -168.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.8 p -126.55 -179.15 4.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.552 1.541 . . . . 0.0 109.23 167.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.44 123.88 2.84 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.37 1.068 . . . . 0.0 112.093 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -65.39 175.86 3.81 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.513 2.142 . . . . 0.0 114.247 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.017 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.07 19.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.465 1.106 . . . . 0.0 108.291 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.88 133.49 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.933 0.893 . . . . 0.0 109.468 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.07 140.54 50.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.292 1.037 . . . . 0.0 110.011 169.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -100.55 140.37 34.91 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.586 0.355 . . . . 0.0 110.842 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.64 140.03 42.47 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.559 0.744 . . . . 0.0 110.75 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.2 tptm -76.51 153.64 35.31 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.33 133.66 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.159 0.89 . . . . 0.0 111.462 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.22 -3.47 79.99 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.723 1.154 . . . . 0.0 114.305 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -88.11 177.24 6.97 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.421 1.61 . . . . 0.0 112.51 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -138.6 158.43 44.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -167.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -139.91 158.74 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 128.006 2.523 . . . . 0.0 108.031 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -131.68 149.92 52.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.164 0.986 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -134.55 136.41 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 108.992 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.65 41.32 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.756 0.694 . . . . 0.0 111.558 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.14 10.05 10.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.274 1.03 . . . . 0.0 111.74 169.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -120.61 -16.17 8.33 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.551 1.14 . . . . 0.0 113.144 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.95 139.22 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 118.965 0.802 . . . . 0.0 111.773 -169.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -125.08 143.05 51.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.893 1.277 . . . . 0.0 109.449 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mm -123.75 140.84 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.182 1.393 . . . . 0.0 108.361 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -136.37 135.88 39.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.796 0.438 . . . . 0.0 110.685 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.06 112.93 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 167.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.8 -37.66 20.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.867 -0.521 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -174.54 43.0 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.112 169.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.03 154.22 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -146.49 100.15 3.31 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.767 1.227 . . . . 0.0 108.997 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.85 -120.02 17.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -170.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.38 1.74 47.23 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.934 0.893 . . . . 0.0 111.823 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 26.4 mt-30 -91.69 156.34 17.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.858 0.837 . . . . 0.0 111.767 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.14 123.85 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.92 1.288 . . . . 0.0 108.389 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -83.13 115.89 22.1 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 169.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.74 122.82 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.062 1.345 . . . . 0.0 109.563 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 138.85 15.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 125.117 1.342 . . . . 0.0 111.712 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.0 mt -132.82 135.02 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.98 92.04 2.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.66 156.19 79.76 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.03 0.932 . . . . 0.0 110.379 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.6 152.75 76.01 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.578 2.185 . . . . 0.0 111.053 170.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.45 -1.19 4.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.91 -19.73 65.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.795 1.238 . . . . 0.0 111.372 168.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.18 149.4 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.072 0.949 . . . . 0.0 110.774 172.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 156.39 20.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.103 0.561 . . . . 0.0 111.419 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.0 131.02 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 110.032 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -157.01 165.03 37.29 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.482 0.713 . . . . 0.0 111.701 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -77.64 160.69 28.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 166.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.34 -28.79 70.0 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.236 0.615 . . . . 0.0 112.003 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.17 -45.84 83.32 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.042 0.937 . . . . 0.0 111.305 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -90.88 -29.24 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.74 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -48.83 -38.99 23.82 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.302 0.641 . . . . 0.0 111.73 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -52.67 -20.84 3.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 126.623 1.969 . . . . 0.0 114.172 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -87.22 -38.49 16.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.457 ' H ' HD12 ' C' ' 51' ' ' ILE . 1.7 mp -49.57 -42.7 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.44 1.496 . . . . 0.0 112.72 -168.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.552 ' H ' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -105.0 2.01 29.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 126.623 1.969 . . . . 0.0 109.912 -168.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.04 -17.6 36.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.347 1.859 . . . . 0.0 112.956 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.07 125.24 4.99 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -168.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.38 157.9 16.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.273 0.629 . . . . 0.0 111.902 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -93.9 148.68 21.91 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.846 0.858 . . . . 0.0 111.176 174.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.4 70.73 1.62 Allowed Pre-proline 0 N--CA 1.455 -0.214 0 C-N-CA 125.552 1.541 . . . . 0.0 113.427 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -65.34 172.1 8.22 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.972 2.448 . . . . 0.0 113.668 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 124.284 1.033 . . . . 0.0 112.771 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -122.62 114.84 21.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.45 1.5 . . . . 0.0 107.325 166.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.16 124.81 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.812 1.245 . . . . 0.0 108.662 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -112.42 169.17 9.06 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.419 1.088 . . . . 0.0 110.339 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -136.61 109.89 7.84 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.918 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -126.79 149.05 49.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.763 0.825 . . . . 0.0 111.081 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 15.1 mmtp -75.78 160.96 29.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 111.657 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.82 139.67 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.15 0.58 . . . . 0.0 111.622 169.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.64 -3.78 86.67 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.421 1.01 . . . . 0.0 113.798 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -87.79 169.8 11.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.979 1.389 . . . . 0.0 112.809 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -128.05 154.47 45.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.938 0.895 . . . . 0.0 112.349 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -146.26 158.94 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 127.234 2.214 . . . . 0.0 108.263 -170.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -137.99 152.32 48.78 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.298 -0.876 . . . . 0.0 112.747 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.83 138.02 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.985 1.314 . . . . 0.0 108.962 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -135.17 51.95 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.39 10.02 5.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.103 0.961 . . . . 0.0 112.422 172.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -125.15 -14.83 6.46 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.94 138.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 118.903 0.774 . . . . 0.0 111.027 -169.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -122.96 146.81 47.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.529 1.132 . . . . 0.0 109.769 174.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.04 141.67 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.59 1.556 . . . . 0.0 107.949 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -139.46 131.14 27.33 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -88.25 109.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 169.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -83.14 -28.55 29.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.366 0.666 . . . . 0.0 110.7 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.48 -174.06 38.82 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 122.662 0.172 . . . . 0.0 112.816 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.04 160.24 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 122.891 0.476 . . . . 0.0 110.888 169.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.1 m -146.68 76.32 1.43 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.646 1.178 . . . . 0.0 108.916 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -120.14 5.88 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.1 mp0 -89.38 -11.66 42.58 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 110.915 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.07 151.22 28.45 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.638 0.732 . . . . 0.0 111.221 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.64 128.9 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.941 1.297 . . . . 0.0 107.568 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -96.83 115.25 27.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.032 0.933 . . . . 0.0 108.89 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.78 124.49 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.432 0.693 . . . . 0.0 110.335 -168.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.84 141.14 15.9 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.821 1.201 . . . . 0.0 110.922 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -134.44 135.51 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -138.04 89.93 2.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -171.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.98 155.82 54.99 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.636 1.174 . . . . 0.0 109.524 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.54 150.28 86.02 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.032 1.821 . . . . 0.0 110.524 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.67 -1.12 6.21 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.68 -23.19 66.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.903 1.281 . . . . 0.0 111.54 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -124.07 160.0 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.263 1.025 . . . . 0.0 110.716 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.09 16.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.28 0.632 . . . . 0.0 112.336 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.69 127.44 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 O-C-N 121.928 -0.483 . . . . 0.0 110.216 168.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.08 166.58 30.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.81 . . . . 0.0 111.541 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.77 156.67 19.8 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.33 -36.93 79.08 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.656 -0.652 . . . . 0.0 111.507 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.85 -21.51 66.02 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.11 -38.23 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.253 1.021 . . . . 0.0 111.102 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -47.29 -38.38 12.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.157 1.383 . . . . 0.0 111.849 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.81 -24.93 67.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.632 1.173 . . . . 0.0 113.506 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.51 -48.05 36.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 119.181 0.901 . . . . 0.0 109.694 172.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' D' ' 55' ' ' LEU . 4.8 mp -62.2 -34.05 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 122.964 0.505 . . . . 0.0 110.354 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.93 -0.8 45.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.941 0.497 . . . . 0.0 111.703 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.22 -6.43 59.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.408 1.083 . . . . 0.0 112.198 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.45 47.96 0.52 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 119.556 -0.58 . . . . 0.0 114.147 169.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -163.1 176.9 9.58 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.055 0.928 . . . . 0.0 112.341 -169.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -150.06 92.78 1.93 Allowed 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 125.296 1.438 . . . . 0.0 108.783 167.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.83 81.92 0.24 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 126.004 1.722 . . . . 0.0 113.662 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.16 170.05 6.9 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.438 2.759 . . . . 0.0 114.185 -173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 124.433 1.093 . . . . 0.0 112.687 179.044 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ttt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -105.14 130.4 53.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 121.074 1.761 . . . . 0.0 110.38 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.91 139.2 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.162 0.985 . . . . 0.0 109.254 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.53 164.52 27.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.379 1.472 . . . . 0.0 110.684 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -125.81 99.05 5.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 130.44 53.09 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.86 1.264 . . . . 0.0 110.944 -170.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.83 159.21 18.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.155 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.06 136.06 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.688 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.75 -2.98 80.92 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.117 0.865 . . . . 0.0 114.341 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -97.38 173.74 7.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.641 1.221 . . . . 0.0 111.543 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -134.18 158.73 42.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -133.07 155.2 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 126.73 2.012 . . . . 0.0 107.688 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.94 144.63 43.53 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.505 -0.747 . . . . 0.0 111.805 -169.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 54.0 mt -137.15 136.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.399 1.08 . . . . 0.0 109.417 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.39 -136.89 50.64 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -126.83 10.0 7.01 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.931 0.892 . . . . 0.0 112.445 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -128.28 -12.76 5.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 134.62 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 119.186 0.903 . . . . 0.0 111.009 -170.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 58.2 m -131.42 144.15 50.98 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.328 1.051 . . . . 0.0 110.275 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -120.77 142.99 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.898 1.679 . . . . 0.0 107.838 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -136.05 125.91 25.77 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.902 0.481 . . . . 0.0 109.992 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -78.86 106.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.91 -30.16 56.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.972 -0.455 . . . . 0.0 110.911 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 -174.52 34.9 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.017 0.342 . . . . 0.0 113.667 170.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.13 157.64 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 C-N-CA 123.622 0.769 . . . . 0.0 112.27 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -150.05 91.0 1.73 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.24 -112.67 4.29 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 121.681 -0.637 . . . . 0.0 111.719 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -92.24 -18.0 24.03 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.745 0.773 . . . . 0.0 111.448 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -74.8 144.58 43.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.644 0.735 . . . . 0.0 110.091 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -141.12 110.66 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -87.5 125.97 34.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.98 133.15 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.157 0.583 . . . . 0.0 110.509 -168.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 145.32 17.68 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.568 1.08 . . . . 0.0 111.702 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.84 124.92 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.864 1.266 . . . . 0.0 108.926 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -124.51 100.09 6.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.385 0.674 . . . . 0.0 109.424 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.64 155.24 71.65 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -63.29 158.77 42.87 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.093 2.529 . . . . 0.0 112.137 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -72.63 -1.03 14.61 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.28 -21.06 66.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.327 1.051 . . . . 0.0 111.396 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -125.57 159.39 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 110.647 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.77 16.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.32 125.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.098 0.559 . . . . 0.0 110.668 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -151.81 166.55 31.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.264 1.026 . . . . 0.0 110.874 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -72.43 155.86 39.67 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -58.91 -29.61 67.18 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.709 0.404 . . . . 0.0 111.8 -172.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.46 -51.6 68.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.439 1.095 . . . . 0.0 111.94 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -74.9 -33.26 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.839 1.256 . . . . 0.0 109.972 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.06 -37.18 68.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.713 0.805 . . . . 0.0 112.138 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.14 -25.76 64.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.175 0.59 . . . . 0.0 112.567 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.19 -26.64 63.04 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.012 0.525 . . . . 0.0 110.391 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' E' ' 55' ' ' LEU . 93.6 mt -92.73 -42.67 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.444 1.098 . . . . 0.0 109.497 -170.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.65 3.11 12.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -21.78 66.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.638 0.775 . . . . 0.0 112.133 169.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.06 32.62 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.079 -0.845 . . . . 0.0 115.145 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' E' ' 51' ' ' ILE . 12.8 mt -124.18 -142.78 0.31 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.664 1.232 . . . . 0.0 111.169 -170.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.8 6.47 2.15 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 126.572 1.949 . . . . 0.0 113.379 -171.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.34 133.63 10.19 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 125.006 1.322 . . . . 0.0 109.028 172.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.34 -177.76 0.96 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.856 2.371 . . . . 0.0 113.221 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.473 1.109 . . . . 0.0 112.759 177.541 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.17 148.33 22.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.948 -0.47 . . . . 0.0 111.651 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.81 135.74 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.817 0.847 . . . . 0.0 109.398 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.27 162.01 29.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.65 1.18 . . . . 0.0 110.02 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 97.96 4.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -105.06 162.09 13.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.853 1.261 . . . . 0.0 110.82 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -116.83 168.51 10.16 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -53.85 134.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.356 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 -11.61 65.1 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.513 1.054 . . . . 0.0 114.804 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.02 175.65 6.79 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.402 1.601 . . . . 0.0 113.048 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -138.65 156.04 47.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 40.7 mm -128.76 155.06 40.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 126.557 1.943 . . . . 0.0 108.381 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -121.17 148.65 43.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.669 0.788 . . . . 0.0 112.071 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.58 140.24 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.657 1.183 . . . . 0.0 108.836 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.65 -132.52 51.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.5 1.28 8.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.101 0.961 . . . . 0.0 111.938 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -138.14 -11.22 1.47 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.0 137.22 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.973 0.806 . . . . 0.0 110.511 -174.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -128.66 140.76 51.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.318 1.047 . . . . 0.0 110.044 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -118.3 139.76 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.085 1.354 . . . . 0.0 108.139 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 41.2 m -136.28 136.64 39.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.498 0.719 . . . . 0.0 110.27 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -96.86 106.7 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.07 -34.98 56.95 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.71 0.404 . . . . 0.0 110.072 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.59 -175.41 39.01 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 122.942 0.306 . . . . 0.0 113.301 169.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.12 151.31 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.444 0.698 . . . . 0.0 111.529 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 61.5 m -142.37 89.9 2.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.494 1.118 . . . . 0.0 108.624 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.99 -119.97 20.71 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -83.12 -24.84 32.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.367 0.584 . . . . 0.0 112.238 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -69.63 145.71 52.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.865 0.866 . . . . 0.0 110.85 173.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 t -137.61 119.64 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.75 112.49 18.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.578 0.751 . . . . 0.0 109.277 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.51 134.17 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.735 0.814 . . . . 0.0 110.383 -173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.27 142.46 15.76 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.59 1.09 . . . . 0.0 111.547 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.28 136.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.469 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -127.76 109.47 11.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.097 0.959 . . . . 0.0 108.952 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.44 157.41 77.47 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 123.523 0.729 . . . . 0.0 111.392 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.95 162.86 30.59 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.915 2.41 . . . . 0.0 112.214 172.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.32 -11.21 29.83 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.97 -20.35 66.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.35 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.96 162.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.161 0.984 . . . . 0.0 110.925 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.25 159.64 18.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.945 0.498 . . . . 0.0 111.078 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 124.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.969 0.507 . . . . 0.0 110.339 169.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -154.1 173.36 16.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.915 0.886 . . . . 0.0 111.117 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -80.46 163.68 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 167.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -19.17 65.12 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.27 -44.52 97.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.918 -0.489 . . . . 0.0 110.977 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -85.99 -35.39 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.474 0.71 . . . . 0.0 110.087 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -55.42 -37.38 67.58 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.763 0.825 . . . . 0.0 112.022 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.11 -26.49 67.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.47 0.708 . . . . 0.0 112.542 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -75.74 -24.8 56.14 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.543 0.737 . . . . 0.0 111.011 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -94.19 -36.02 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.044 1.338 . . . . 0.0 110.017 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -80.79 3.14 23.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.052 0.941 . . . . 0.0 113.139 174.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.9 -7.03 6.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.8 37.46 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.838 0.732 . . . . 0.0 112.744 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.95 -52.87 0.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m 44.29 40.68 3.84 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.902 1.281 . . . . 0.0 112.456 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.2 126.16 3.29 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.294 1.038 . . . . 0.0 109.744 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -64.09 170.4 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.46 2.107 . . . . 0.0 113.751 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.984 1.314 . . . . 0.0 112.594 178.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.802 3.602 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.432 3.232 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.965 1 O4'-C1'-N19 112.71 4.51 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 O4'-C1'-N19 112.3 4.1 . 0.123 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 104.377 3.197 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 C5'-C4'-C3' 108.055 -4.964 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 O4'-C1'-N19 111.769 3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C3'-C2'-C1' 104.172 2.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 O5'-C5'-C4' 113.434 2.31 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 1 C3'-C2'-C1' 105.313 4.237 . 0.15 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 1 O4'-C1'-N19 112.299 4.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 111.512 -2.659 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C5'-C4'-C3' 110.397 -3.402 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.922 -2.778 . 0.936 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 111.674 3.474 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.914 2.714 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 111.096 -2.936 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 113.566 5.366 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 2 C1'-O4'-C4' 104.522 -5.642 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.812 4.612 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 2 O4'-C1'-N19 112.864 4.664 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C5'-C4'-C3' 111.687 -2.542 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 O4'-C1'-N19 112.609 4.409 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.143 3.943 . 0.405 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 110.814 2.614 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 O4'-C1'-N19 111.184 2.984 . 0.508 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 C5'-C4'-C3' 111.592 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.43 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C5'-C4'-C3' 111.8 -2.467 . 0.108 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C5'-C4'-C3' 111.539 -2.641 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 111.181 2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C4'-C3'-C2' 100.405 -2.295 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.984 2.784 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.4 4.2 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C4'-C3'-C2' 99.132 -3.568 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.299 -3.401 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.441 4.241 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 115.245 7.045 . 0.062 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C5'-C4'-C3' 111.559 -2.628 . 0.749 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 C3'-C2'-C1' 104.151 2.946 . 0.154 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 O4'-C1'-N19 112.864 4.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 1 C5'-C4'-C3' 108.782 -4.479 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 1 O4'-C1'-N19 112.562 4.362 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.994 4.794 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 1 O4'-C1'-N19 112.268 4.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 1 O4'-C1'-N19 112.418 4.218 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.587 -3.113 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . 0.459 ' H42' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 112.194 3.994 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.465 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C3'-C2'-C1' 104.808 3.676 . 0.321 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.465 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C4'-C3'-C2' 99.381 -3.319 . 0.013 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 O4'-C1'-N19 111.897 3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . 0.406 ' C2 ' " H1'" ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.513 3 O5'-C5'-C4' 116.594 4.567 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.466 1 O5'-C5'-C4' 118.06 5.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . 0.406 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-C3' 111.695 -2.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.407 4.207 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.282 -2.418 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 O4'-C1'-N19 111.092 2.892 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 1 O4'-C1'-N19 112.527 4.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C5'-C4'-C3' 111.593 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 112.059 3.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.53 3.33 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.666 3.466 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C5'-C4'-C3' 111.005 -2.997 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.447 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C5'-C4'-C3' 109.612 -3.925 . 0.147 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.447 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 99.512 -3.188 . 0.128 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 P-O3'-C3' 122.625 2.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 111.335 -2.777 . 0.154 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C3'-C2'-C1' 97.981 -3.91 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C4'-C3'-C2' 100.144 -2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.516 -2.656 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 O4'-C1'-N19 112.029 3.829 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.383 3.183 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 1 O4'-C1'-N19 113.085 4.885 . 0.585 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 110.33 22.91 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.653 0.661 . . . . 0.0 109.441 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.47 134.44 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.593 0.757 . . . . 0.0 109.076 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -131.38 155.25 47.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 109.647 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -116.2 101.04 8.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.99 138.61 45.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.72 0.808 . . . . 0.0 110.474 -169.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -105.23 154.29 20.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.432 0.293 . . . . 0.0 110.254 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -50.45 124.78 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.455 0.702 . . . . 0.0 111.072 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.59 -5.03 69.87 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.763 1.173 . . . . 0.0 114.331 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -93.12 169.39 10.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.829 1.315 . . . . 0.0 111.711 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -137.88 148.53 45.46 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 40.0 mm -109.5 153.92 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 125.875 1.67 . . . . 0.0 109.326 169.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -124.67 136.51 53.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.676 1.191 . . . . 0.0 109.57 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -130.93 131.1 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.103 0.961 . . . . 0.0 109.726 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 -127.98 29.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -124.4 -2.27 8.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.809 0.843 . . . . 0.0 112.661 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -135.61 -26.95 1.2 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -92.98 140.42 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.603 0.638 . . . . 0.0 110.302 -171.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -133.24 146.76 51.74 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.63 0.772 . . . . 0.0 109.327 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 mm -127.93 138.53 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.797 1.239 . . . . 0.0 107.983 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -133.97 132.52 40.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.448 0.567 . . . . 0.0 110.408 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.39 102.53 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.92 -29.85 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.981 -0.45 . . . . 0.0 110.11 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -171.07 40.45 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 113.796 0.278 . . . . 0.0 113.796 168.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.76 155.98 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -139.97 60.93 1.54 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.218 1.007 . . . . 0.0 110.721 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.66 -121.05 5.38 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -173.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.4 21.55 3.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.774 0.83 . . . . 0.0 111.812 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -138.87 159.49 42.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.956 0.902 . . . . 0.0 112.27 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 t -128.96 136.41 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 109.437 -167.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.04 103.59 12.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.01 0.924 . . . . 0.0 110.109 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.66 132.8 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.351 1.46 . . . . 0.0 109.289 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.51 139.0 14.55 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.729 0.68 . . . . 0.0 111.619 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -111.29 129.11 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.302 1.441 . . . . 0.0 108.168 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -118.38 74.94 0.98 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.322 1.049 . . . . 0.0 109.323 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.97 152.26 40.25 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.35 152.8 66.49 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.315 2.01 . . . . 0.0 110.181 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -70.39 -1.13 9.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.6 -25.53 63.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.179 0.992 . . . . 0.0 111.632 169.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.01 144.06 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.933 0.873 . . . . 0.0 111.732 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.0 32.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.08 0.952 . . . . 0.0 110.767 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 m -130.81 131.68 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.744 0.417 . . . . 0.0 110.136 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -151.44 -176.04 5.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.555 1.142 . . . . 0.0 110.38 -171.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.32 167.1 15.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 172.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -52.24 -53.73 40.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -166.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -76.69 -0.94 25.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.282 0.947 . . . . 0.0 113.19 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -106.5 -26.49 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.205 1.002 . . . . 0.0 110.321 169.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.29 -32.61 73.36 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.448 -0.783 . . . . 0.0 110.565 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.86 -19.3 61.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.081 0.952 . . . . 0.0 111.81 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -76.97 -34.97 57.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.905 0.882 . . . . 0.0 111.186 171.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.7 -51.54 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -84.06 5.07 27.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.055 0.942 . . . . 0.0 112.965 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -22.78 66.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.956 0.502 . . . . 0.0 111.969 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.04 -15.93 1.53 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 123.955 0.788 . . . . 0.0 112.68 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.69 90.82 7.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.976 0.893 . . . . 0.0 110.812 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -138.49 111.21 7.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.634 -0.666 . . . . 0.0 110.227 -172.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.79 154.3 37.24 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 123.904 0.882 . . . . 0.0 111.266 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.37 162.13 41.0 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.219 2.613 . . . . 0.0 111.647 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.34 171.044 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.58 122.34 45.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.328 1.451 . . . . 0.0 107.4 168.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.16 140.35 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -165.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -132.98 142.43 48.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.064 1.346 . . . . 0.0 110.453 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -114.17 110.53 20.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -130.87 144.68 51.64 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.094 0.958 . . . . 0.0 111.492 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -78.1 158.77 29.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 m -58.93 135.57 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.666 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.48 71.61 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.111 -0.827 . . . . 0.0 114.738 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -90.3 165.63 13.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.977 1.389 . . . . 0.0 112.112 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -128.8 156.47 43.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.714 0.769 . . . . 0.0 112.685 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -141.8 156.1 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.362 1.865 . . . . 0.0 108.804 -170.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.25 143.97 40.34 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.702 -0.624 . . . . 0.0 112.548 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -135.95 142.7 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 116.855 -1.545 . . . . 0.0 107.109 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 15.94 122.66 0.0 OUTLIER Glycine 0 C--N 1.34 0.779 0 CA-C-O 115.802 -2.665 . . . . 0.0 110.602 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.54 5.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 120.98 3.696 . . . . 0.0 120.98 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.9 m-20 -86.83 -21.35 26.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.677 1.191 . . . . 0.0 112.265 164.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -114.57 142.84 25.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 121.229 1.832 . . . . 0.0 113.229 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -139.39 151.59 46.42 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.898 1.279 . . . . 0.0 109.986 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.08 145.07 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 126.065 1.746 . . . . 0.0 108.583 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.4 m -138.74 130.75 28.1 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.099 0.56 . . . . 0.0 110.119 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.54 111.9 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 170.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.19 -31.03 38.81 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.125 -0.359 . . . . 0.0 110.978 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.87 179.69 33.89 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 122.57 0.129 . . . . 0.0 113.306 169.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.34 150.63 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.123 0.569 . . . . 0.0 110.903 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -133.56 78.37 1.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.568 1.147 . . . . 0.0 108.567 170.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.77 -116.7 4.7 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.68 7.28 43.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.283 0.633 . . . . 0.0 110.801 177.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 150.61 21.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.038 0.935 . . . . 0.0 110.034 169.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.14 115.64 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.291 0.636 . . . . 0.0 109.316 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.91 118.19 26.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.08 0.952 . . . . 0.0 109.575 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.96 132.17 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.146 0.978 . . . . 0.0 109.862 -169.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.77 138.15 13.93 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -120.33 132.63 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.838 0.828 . . . . 0.0 108.978 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -130.94 82.73 2.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.661 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.92 156.0 80.54 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.183 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -58.55 155.97 33.96 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.905 1.737 . . . . 0.0 110.808 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.575 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.2 mmtm -72.54 -0.68 13.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.92 0.488 . . . . 0.0 111.999 171.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.9 -27.52 68.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.978 1.311 . . . . 0.0 112.068 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.42 144.08 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.706 0.802 . . . . 0.0 110.315 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.438 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -88.13 142.3 27.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.299 0.571 . . . . 0.0 111.504 170.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.14 96.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.855 -166.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.438 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.5 OUTLIER -145.75 159.69 42.82 Favored 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 121.674 -0.641 . . . . 0.0 111.522 179.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.9 ptt-85 -63.91 156.3 28.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.55 0.214 . . . . 0.0 111.308 169.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.48 -37.17 62.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.429 0.691 . . . . 0.0 112.356 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.46 -47.76 66.27 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.16 0.436 . . . . 0.0 110.988 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.46 -47.32 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.307 1.443 . . . . 0.0 110.037 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.67 -36.22 45.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.113 0.965 . . . . 0.0 111.59 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.41 -21.13 62.03 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -83.91 -37.77 21.94 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.371 0.987 . . . . 0.0 110.683 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.93 -41.9 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -79.55 5.1 13.88 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.61 -20.33 47.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.865 -0.522 . . . . 0.0 111.489 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.97 45.18 0.07 OUTLIER Glycine 0 C--N 1.338 0.661 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.546 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -176.09 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.062 0.931 . . . . 0.0 113.061 -168.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -125.24 178.74 5.41 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.568 1.547 . . . . 0.0 109.093 167.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.32 123.2 1.35 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 124.623 1.169 . . . . 0.0 112.297 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -66.84 -177.07 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.974 2.449 . . . . 0.0 113.566 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 124.013 0.925 . . . . 0.0 112.48 171.521 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 112.02 23.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 166.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.35 136.73 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.897 0.879 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.016 0.926 . . . . 0.0 109.595 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.55 144.51 25.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -146.06 157.97 43.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.2 tptm -91.82 153.58 19.48 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.27 1.028 . . . . 0.0 109.546 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.84 135.57 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 118.33 0.514 . . . . 0.0 111.74 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 -6.16 68.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.894 1.235 . . . . 0.0 114.698 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -92.12 176.05 6.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.318 1.559 . . . . 0.0 113.057 -173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -129.63 152.08 49.54 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -134.22 152.95 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 126.916 2.087 . . . . 0.0 108.676 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.55 145.91 44.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.014 0.925 . . . . 0.0 111.25 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -130.98 129.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.565 1.146 . . . . 0.0 108.597 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.68 -138.81 47.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -117.64 4.84 12.33 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.851 1.26 . . . . 0.0 111.078 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.7 -17.23 5.99 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -169.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.62 140.11 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.967 0.803 . . . . 0.0 110.874 -170.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -129.27 140.66 51.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 109.719 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -117.49 135.46 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 108.836 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -127.36 129.73 48.13 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.331 0.653 . . . . 0.0 110.047 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -88.86 117.06 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.427 HD12 " H1'" ' G' ' 67' ' ' ' C' . 6.5 mt -91.61 -38.5 12.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.139 -0.351 . . . . 0.0 110.375 -174.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.67 -178.58 42.59 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 113.809 0.283 . . . . 0.0 113.809 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.45 154.23 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.644 0.777 . . . . 0.0 110.467 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -151.45 106.27 3.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 108.607 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.7 -133.63 25.37 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.27 1.77 56.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.852 0.861 . . . . 0.0 111.993 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.85 151.72 21.62 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.989 0.915 . . . . 0.0 110.458 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.0 118.97 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 124.122 0.969 . . . . 0.0 108.664 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -77.98 112.12 14.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.473 0.579 . . . . 0.0 109.627 171.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.78 127.16 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.841 1.256 . . . . 0.0 109.658 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.89 139.22 14.36 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.298 0.951 . . . . 0.0 111.971 173.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.13 118.58 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.583 1.153 . . . . 0.0 108.498 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -116.39 92.05 3.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.089 0.556 . . . . 0.0 110.115 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.5 157.79 71.83 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.397 1.079 . . . . 0.0 110.067 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.39 153.89 71.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.622 2.215 . . . . 0.0 111.179 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.72 -1.01 3.31 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 123.293 0.637 . . . . 0.0 112.474 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -22.22 66.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.241 1.016 . . . . 0.0 111.334 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.02 148.93 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.42 156.99 19.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.711 0.404 . . . . 0.0 111.349 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -137.51 134.7 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.341 0.656 . . . . 0.0 109.231 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -155.57 160.8 40.79 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.684 0.675 . . . . 0.0 112.703 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -67.14 146.05 54.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 165.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.67 -31.74 70.97 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.812 0.733 . . . . 0.0 111.98 -173.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -54.59 -44.51 73.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.765 0.826 . . . . 0.0 111.528 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -85.2 -31.77 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.497 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -53.91 -37.25 63.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.669 0.788 . . . . 0.0 112.136 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.22 -28.49 70.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.858 -0.526 . . . . 0.0 112.217 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.73 -36.4 70.46 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.517 0.727 . . . . 0.0 111.75 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.26 -28.52 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.239 0.616 . . . . 0.0 110.276 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -98.39 2.06 47.52 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.728 1.211 . . . . 0.0 112.319 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.86 4.06 8.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.4 1.08 . . . . 0.0 113.828 -172.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.74 21.75 1.23 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 123.979 0.8 . . . . 0.0 113.417 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 35.9 mt -81.76 -28.01 33.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.048 0.924 . . . . 0.0 111.794 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p -79.71 -34.43 40.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.961 0.905 . . . . 0.0 111.632 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.14 119.6 4.79 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.54 1.136 . . . . 0.0 109.856 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.88 174.21 4.93 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.026 2.484 . . . . 0.0 113.934 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 124.138 0.975 . . . . 0.0 112.815 -175.289 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpp . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.28 115.53 28.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.26 1.424 . . . . 0.0 107.812 167.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.22 124.28 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.863 1.265 . . . . 0.0 108.592 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -109.54 168.13 9.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.909 0.884 . . . . 0.0 109.158 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -125.53 109.83 13.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 168.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -113.55 131.26 56.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.829 -0.545 . . . . 0.0 111.239 -167.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -72.95 152.27 41.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.209 0.528 . . . . 0.0 110.547 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.36 137.97 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.454 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.45 -5.23 85.05 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.298 0.951 . . . . 0.0 114.073 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -85.51 170.91 12.18 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.09 1.445 . . . . 0.0 112.186 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -131.03 163.1 28.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.941 0.897 . . . . 0.0 112.295 -170.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mt -150.32 160.12 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.552 2.341 . . . . 0.0 108.207 -168.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -137.78 152.96 49.7 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 0.0 112.343 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -133.28 138.31 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.9 1.28 . . . . 0.0 108.947 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.51 -135.35 51.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.98 10.02 6.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.014 0.926 . . . . 0.0 112.648 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -129.39 -14.18 4.27 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.54 137.95 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 119.082 0.856 . . . . 0.0 110.98 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 41.6 m -120.03 146.75 45.59 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.641 1.176 . . . . 0.0 109.696 172.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.23 142.72 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.412 1.485 . . . . 0.0 108.006 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.53 130.74 28.54 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -87.9 101.15 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 54.6 mt -75.61 -29.66 59.29 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.205 0.602 . . . . 0.0 111.154 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.26 -172.08 39.14 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 122.969 0.319 . . . . 0.0 112.575 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -111.6 164.82 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 C-N-CA 123.162 0.585 . . . . 0.0 111.07 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -151.74 80.16 1.27 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.089 0.955 . . . . 0.0 109.747 169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.09 -121.79 5.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.47 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -87.6 -11.23 49.18 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.427 0.691 . . . . 0.0 110.69 170.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.86 154.83 28.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.053 0.93 . . . . 0.0 111.927 171.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.01 129.65 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.774 1.63 . . . . 0.0 107.329 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -96.36 115.21 27.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.914 0.886 . . . . 0.0 108.654 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -124.8 129.8 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.121 0.568 . . . . 0.0 110.164 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.58 136.83 12.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.075 0.845 . . . . 0.0 111.156 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.48 141.23 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.06 0.944 . . . . 0.0 108.565 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -138.12 89.99 2.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.29 0.636 . . . . 0.0 109.414 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.77 157.07 60.9 Favored Pre-proline 0 N--CA 1.452 -0.373 0 C-N-CA 124.691 1.197 . . . . 0.0 109.88 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.28 150.79 87.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.136 1.891 . . . . 0.0 110.532 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.4 -2.11 7.87 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.08 -23.36 66.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.82 1.248 . . . . 0.0 111.789 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.98 160.03 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.18 0.992 . . . . 0.0 110.961 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.77 156.97 16.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.298 0.639 . . . . 0.0 112.505 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.64 118.63 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.127 0.571 . . . . 0.0 109.957 168.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -148.81 162.25 40.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.505 0.722 . . . . 0.0 111.592 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -62.76 155.51 26.44 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.816 0.446 . . . . 0.0 110.654 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.54 -33.28 74.59 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.975 0.51 . . . . 0.0 111.542 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.77 -27.71 68.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.494 0.717 . . . . 0.0 112.675 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -89.46 -37.36 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.86 1.264 . . . . 0.0 110.726 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -53.39 -40.74 65.28 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.121 0.969 . . . . 0.0 111.041 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -64.08 -25.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.509 0.724 . . . . 0.0 112.918 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' C5 ' ' G' ' 7' ' ' ' C' . 4.9 ttt180 -77.06 -38.96 51.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.724 0.809 . . . . 0.0 111.222 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.446 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 77.9 mt -73.53 -37.62 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 121.142 0.496 . . . . 0.0 109.849 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.41 1.91 20.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.002 0.921 . . . . 0.0 111.219 172.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.34 -17.54 58.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.692 0.797 . . . . 0.0 112.129 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.82 40.46 0.2 Allowed Glycine 0 CA--C 1.526 0.732 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.532 169.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.8 pp -157.07 173.15 17.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.481 1.141 . . . . 0.0 112.513 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -139.18 76.24 1.56 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.137 0.975 . . . . 0.0 109.46 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.38 91.74 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 126.342 1.857 . . . . 0.0 113.889 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.01 165.73 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.301 2.667 . . . . 0.0 114.732 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 124.712 1.205 . . . . 0.0 112.892 -176.042 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -113.77 141.28 47.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.514 0.726 . . . . 0.0 110.077 169.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 mm -126.42 116.2 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.267 1.027 . . . . 0.0 108.345 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.12 151.43 38.3 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.771 1.228 . . . . 0.0 110.089 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.34 109.7 11.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 166.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -121.49 162.14 21.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.396 1.478 . . . . 0.0 109.769 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -117.38 167.13 11.53 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.56 133.87 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.022 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.21 67.7 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.353 0.978 . . . . 0.0 114.759 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -90.39 176.48 6.7 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.314 1.557 . . . . 0.0 112.592 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -137.26 156.76 47.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -136.72 152.69 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.502 1.921 . . . . 0.0 107.906 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -124.99 150.72 46.4 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.565 -0.71 . . . . 0.0 112.721 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.69 138.48 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.853 1.261 . . . . 0.0 108.914 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.43 -140.21 47.26 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.01 9.36 11.83 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.907 0.883 . . . . 0.0 111.77 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -136.59 -7.88 1.93 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -169.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.52 136.55 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 119.166 0.894 . . . . 0.0 110.799 -173.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.6 m -126.38 143.49 51.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.349 1.059 . . . . 0.0 110.303 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -120.39 135.4 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.518 1.527 . . . . 0.0 108.213 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 32.9 m -132.7 133.25 43.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.545 0.738 . . . . 0.0 110.264 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -91.65 99.99 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.65 -32.91 68.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.742 -0.599 . . . . 0.0 110.961 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 -178.99 33.43 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.03 0.347 . . . . 0.0 113.42 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.87 157.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.638 0.775 . . . . 0.0 111.8 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -149.95 90.04 1.65 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.631 1.172 . . . . 0.0 109.305 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -106.35 1.95 Allowed Glycine 0 CA--C 1.524 0.619 0 O-C-N 121.874 -0.517 . . . . 0.0 111.853 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -99.34 -20.81 16.33 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 117.691 0.745 . . . . 0.0 111.896 169.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -72.67 142.56 48.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.8 115.85 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -86.28 126.57 34.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.42 133.01 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.704 0.802 . . . . 0.0 110.165 -168.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.11 140.81 15.06 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.363 0.982 . . . . 0.0 111.507 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -133.14 124.0 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.549 1.139 . . . . 0.0 108.954 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -123.56 99.27 6.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.982 0.513 . . . . 0.0 109.637 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.61 155.4 73.56 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.5 1.12 . . . . 0.0 110.671 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.83 159.47 37.53 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.938 2.425 . . . . 0.0 112.007 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -69.57 -0.84 7.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.4 0.68 . . . . 0.0 112.762 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.0 -22.79 67.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.569 1.148 . . . . 0.0 111.286 169.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.02 155.05 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.34 1.056 . . . . 0.0 110.655 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.08 155.24 19.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.92 126.9 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.927 0.491 . . . . 0.0 110.299 169.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -150.61 169.89 20.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.265 1.026 . . . . 0.0 109.855 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 31.2 ptt-85 -82.08 166.15 19.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.772 -0.58 . . . . 0.0 110.205 169.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.73 -32.61 69.38 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -169.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.47 -44.05 80.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 112.049 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.14 -32.85 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.996 0.919 . . . . 0.0 110.295 -170.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -50.65 -35.22 29.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.496 1.119 . . . . 0.0 112.516 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -59.96 -21.99 61.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.273 1.029 . . . . 0.0 112.719 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -73.24 -47.82 39.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.52 0.6 . . . . 0.0 109.558 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.89 -22.97 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.116 1.366 . . . . 0.0 110.674 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.23 -40.45 16.63 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 169.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.45 -33.26 7.41 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.11 -24.45 1.83 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 124.08 0.847 . . . . 0.0 112.746 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.85 165.65 0.18 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 128.518 2.727 . . . . 0.0 113.558 169.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 41.4 p -100.98 -4.54 27.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.908 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.68 134.6 23.68 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 123.992 0.917 . . . . 0.0 109.83 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.89 172.11 3.2 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.21 2.607 . . . . 0.0 113.553 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 124.863 1.265 . . . . 0.0 112.572 179.377 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.12 149.21 21.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.059 -0.401 . . . . 0.0 111.539 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.9 133.36 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -126.8 161.9 27.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.791 1.237 . . . . 0.0 109.821 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.09 97.05 4.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 168.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.38 142.64 38.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.244 1.018 . . . . 0.0 110.444 -178.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -92.16 170.21 10.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -59.54 139.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.314 0.578 . . . . 0.0 112.032 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -4.14 83.04 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.147 0.879 . . . . 0.0 113.855 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -92.22 172.38 8.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.767 1.283 . . . . 0.0 112.645 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 65.8 m -134.8 152.73 51.99 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.887 0.875 . . . . 0.0 112.445 -171.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 29.4 mt -140.24 156.29 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.033 1.733 . . . . 0.0 108.661 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -137.32 147.7 45.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.408 0.683 . . . . 0.0 112.216 -170.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.72 140.83 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.517 1.127 . . . . 0.0 109.213 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.63 -137.54 49.72 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -121.19 9.99 10.57 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.859 0.864 . . . . 0.0 111.89 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -137.43 -14.47 1.49 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -169.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.48 137.19 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 118.982 0.81 . . . . 0.0 110.521 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -132.88 140.73 48.04 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.282 1.033 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -122.51 143.69 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.574 1.55 . . . . 0.0 108.295 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.25 127.97 31.0 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.341 0.656 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.64 112.22 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.99 -26.66 25.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.95 0.9 . . . . 0.0 110.937 -173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.6 -173.8 33.68 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.076 0.37 . . . . 0.0 113.77 169.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.09 158.15 38.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 C-N-CA 123.407 0.683 . . . . 0.0 112.321 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 93.21 1.98 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.514 1.126 . . . . 0.0 109.292 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.58 -102.98 1.45 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.822 -0.549 . . . . 0.0 111.986 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -102.65 -14.93 16.51 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.725 0.762 . . . . 0.0 111.836 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -72.45 145.37 47.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.537 0.684 . . . . 0.0 110.013 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.64 110.4 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -87.35 126.9 35.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -134.11 134.77 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.91 . . . . 0.0 110.521 -168.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.2 140.57 15.07 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.64 135.87 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.094 0.957 . . . . 0.0 109.11 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -137.1 109.97 7.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.571 0.748 . . . . 0.0 109.552 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.29 157.2 75.96 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.717 0.807 . . . . 0.0 111.479 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.1 162.15 36.9 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.195 2.596 . . . . 0.0 112.507 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.64 -12.15 59.8 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.699 0.8 . . . . 0.0 112.88 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.91 -20.78 66.63 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.992 1.317 . . . . 0.0 112.575 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -126.29 166.74 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.777 0.831 . . . . 0.0 111.1 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.61 157.8 15.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.173 0.589 . . . . 0.0 111.827 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.97 113.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.567 0.747 . . . . 0.0 110.305 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.08 167.03 28.95 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.681 0.792 . . . . 0.0 110.922 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -68.37 154.7 41.28 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 109.61 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.36 -23.67 67.51 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.49 -48.11 75.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.492 1.117 . . . . 0.0 110.99 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -81.9 -32.87 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.088 0.955 . . . . 0.0 110.195 -171.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -53.25 -39.8 64.13 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.07 0.948 . . . . 0.0 112.167 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.67 -24.55 66.81 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.403 0.681 . . . . 0.0 112.58 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.62 -22.9 27.76 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.664 1.186 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mt -93.82 -24.38 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.837 1.255 . . . . 0.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -85.27 -46.31 11.14 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.11 4.06 22.62 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -167.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.35 -20.13 0.05 OUTLIER Glycine 0 CA--C 1.526 0.736 0 CA-C-N 119.283 0.947 . . . . 0.0 112.877 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.29 173.55 0.11 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 130.44 3.496 . . . . 0.0 114.132 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p -78.97 140.28 38.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.33 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 46.59 73.64 0.95 Allowed Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 124.888 1.275 . . . . 0.0 112.672 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.75 -43.99 47.58 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.951 3.101 . . . . 0.0 113.769 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.451 -0.393 0 C-N-CA 123.2 0.6 . . . . 0.0 110.513 -169.131 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 O4'-C1'-N19 111.288 3.088 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.414 3.214 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 1 O4'-C1'-N19 112.577 4.377 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 112.062 3.862 . 0.284 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.715 3.515 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C5'-C4'-O4' 114.057 3.469 . 0.019 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.48 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.986 3.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C3'-C2'-C1' 103.883 2.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 O5'-C5'-C4' 113.347 2.248 . 0.019 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 C3'-C2'-C1' 104.79 3.656 . 0.18 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O5'-C5'-C4' 114.415 3.011 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.51 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 C5'-C4'-C3' 111.436 -2.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 1 C5'-C4'-C3' 108.454 -4.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 99.995 -2.705 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.731 3.531 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 N19-C1'-C2' 109.323 -2.548 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.518 4.318 . 0.101 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 110.471 -3.353 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 2 O4'-C1'-N19 112.688 4.488 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.577 4.377 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 1 O4'-C1'-N19 112.469 4.269 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-O4' 113.045 2.746 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 O4'-C1'-N19 112.693 4.493 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 112.147 3.947 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 N19-C1'-C2' 109.047 -2.721 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 O4'-C1'-N19 111.316 3.116 . 0.4 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.465 -2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.575 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 112.366 -2.089 . 0.068 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-C3' 111.486 -2.676 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 O4'-C1'-N19 111.685 3.485 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 100.089 -2.611 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 110.964 2.764 . 0.483 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.582 4.382 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 C4'-C3'-C2' 99.081 -3.619 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.543 -3.157 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.438 4.238 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 C4'-C3'-C2' 99.694 -3.006 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.465 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 110.944 -3.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.465 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 P-O3'-C3' 122.001 1.917 . 0.113 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 113.142 4.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 1 C5'-C4'-C3' 108.86 -4.426 . 0.047 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 112.888 4.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 O4'-C1'-N19 112.464 4.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.16 3.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.464 4.264 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 111.31 3.11 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.651 3.451 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 C3'-C2'-C1' 105.686 4.651 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C4'-C3'-C2' 100.006 -2.694 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.064 2.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 111.578 -2.615 . 0.42 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O5'-C5'-C4' 117.225 5.018 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.964 -2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 111.897 3.697 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C5'-C4'-O4' 112.917 2.655 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O4'-C1'-N19 110.993 2.793 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 O4'-C1'-N19 113.266 5.066 . 0.042 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.684 4.484 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 1 O4'-C1'-N19 112.445 4.245 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.473 3.273 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.367 3.167 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 C3'-C2'-C1' 104.702 3.557 . 0.306 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-O4' 114.338 3.67 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 P-O3'-C3' 122.635 2.445 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 111.76 3.56 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 0 C5'-C4'-C3' 110.697 -3.202 . 0.159 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.427 " H1'" HD12 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.412 -3.424 1 C3'-C2'-C1' 97.49 -4.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 100.069 -2.631 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C5'-C4'-C3' 111.588 -2.608 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.211 4.011 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 O4'-C1'-N19 111.347 3.147 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 C3'-C2'-C1' 104.561 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.122 -0.466 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.92 110.3 22.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.683 0.793 . . . . 0.0 109.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.11 132.11 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.761 0.824 . . . . 0.0 108.844 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -130.76 162.18 30.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.34 1.056 . . . . 0.0 109.791 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.7 m -126.23 129.39 48.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.77 162.43 27.44 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.554 0.742 . . . . 0.0 110.097 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -125.18 157.21 37.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -49.38 119.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 120.72 0.295 . . . . 0.0 110.826 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.24 -5.03 52.15 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.815 1.198 . . . . 0.0 114.603 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -94.71 169.82 9.89 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.951 1.375 . . . . 0.0 112.346 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -139.39 161.11 38.26 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.6 mm -130.6 157.56 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 127.36 2.264 . . . . 0.0 107.918 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -129.95 144.31 51.26 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.607 1.163 . . . . 0.0 110.553 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.97 133.08 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.489 0.715 . . . . 0.0 109.461 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.46 -131.35 38.07 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -123.89 -1.77 8.32 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.04 0.936 . . . . 0.0 112.315 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.32 -15.61 2.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.9 mt -107.8 139.68 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.74 0.7 . . . . 0.0 110.722 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -138.24 140.94 39.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.337 1.055 . . . . 0.0 109.485 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 mm -120.81 144.73 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.726 1.21 . . . . 0.0 108.529 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -138.77 136.16 35.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.464 0.706 . . . . 0.0 110.382 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -86.37 103.35 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.76 -30.43 51.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.104 -0.372 . . . . 0.0 110.484 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.61 -177.63 45.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 169.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 142.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.113 0.965 . . . . 0.0 110.859 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -136.19 68.34 1.44 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.211 1.405 . . . . 0.0 109.759 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.46 -118.14 7.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -80.07 -10.73 59.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.393 0.677 . . . . 0.0 111.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.87 158.87 15.35 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.965 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.19 127.6 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.556 1.542 . . . . 0.0 108.389 -169.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt85 -102.62 103.56 13.87 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.537 0.608 . . . . 0.0 110.73 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -108.59 133.05 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.558 1.543 . . . . 0.0 109.339 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.05 139.62 14.85 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 123.866 0.746 . . . . 0.0 111.647 173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.84 138.36 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.251 1.42 . . . . 0.0 108.45 174.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -126.67 75.01 1.52 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.526 1.13 . . . . 0.0 109.243 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.26 154.07 43.05 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.175 1.39 . . . . 0.0 110.637 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 155.59 57.28 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.489 2.126 . . . . 0.0 110.581 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -67.74 -3.39 9.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -30.96 71.61 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.962 0.905 . . . . 0.0 111.663 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.48 144.03 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 122.079 0.942 . . . . 0.0 111.789 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.05 41.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.547 1.139 . . . . 0.0 111.553 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -129.03 119.66 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -148.79 -176.0 5.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.809 0.844 . . . . 0.0 110.594 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -125.29 167.49 14.82 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 170.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.32 -29.13 69.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.26 -5.39 41.76 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -120.0 -26.88 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.89 1.276 . . . . 0.0 110.929 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -63.59 -31.73 72.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.461 -0.774 . . . . 0.0 110.667 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -73.63 -15.78 61.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.916 0.887 . . . . 0.0 111.618 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.56 -35.95 39.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.515 1.126 . . . . 0.0 110.96 169.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.15 -48.7 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.04 0.936 . . . . 0.0 109.633 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -84.02 5.13 26.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.288 1.035 . . . . 0.0 112.453 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.87 -12.59 61.72 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.35 25.93 4.18 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.89 0.757 . . . . 0.0 113.2 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -114.72 -172.96 2.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.962 1.305 . . . . 0.0 109.491 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.259 1.5 t 54.52 21.79 3.55 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.684 1.593 . . . . 0.0 114.269 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.76 41.53 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.998 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -70.22 -14.87 35.1 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.202 2.601 . . . . 0.0 112.97 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 C-N-CA 122.947 0.499 . . . . 0.0 111.401 -169.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.87 121.32 43.61 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.87 139.52 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.843 0.457 . . . . 0.0 111.743 -165.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.32 132.49 41.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.274 1.03 . . . . 0.0 110.706 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.466 ' HB ' ' H42' ' G' ' 47' ' ' ' C' . 57.4 m -89.89 117.92 29.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 168.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -128.61 134.17 48.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 0.0 110.167 -168.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -96.77 160.33 14.43 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 118.689 0.677 . . . . 0.0 111.944 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.0 127.58 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.481 0.658 . . . . 0.0 110.835 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.91 -3.6 65.01 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.126 -0.943 . . . . 0.0 114.595 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.26 164.97 20.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.906 1.353 . . . . 0.0 111.645 171.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -128.18 149.01 50.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.344 1.058 . . . . 0.0 111.781 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 18.0 mt -132.27 153.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 126.068 1.747 . . . . 0.0 109.679 -173.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -137.08 140.65 42.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.712 -0.618 . . . . 0.0 111.856 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -134.52 133.27 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.167 0.987 . . . . 0.0 109.719 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.86 -137.73 50.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.94 0.73 10.33 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.664 0.786 . . . . 0.0 112.107 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.56 -16.47 9.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.804 0.842 . . . . 0.0 113.0 -172.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.48 134.15 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.593 0.711 . . . . 0.0 110.86 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -127.0 148.15 50.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.741 1.216 . . . . 0.0 109.531 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -130.15 145.68 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.879 1.672 . . . . 0.0 107.839 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -137.42 131.91 32.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.988 -0.445 . . . . 0.0 110.262 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.67 91.43 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.83 -30.75 71.01 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.735 -0.603 . . . . 0.0 111.51 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.14 -174.48 37.73 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 113.587 0.195 . . . . 0.0 113.587 170.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.07 150.77 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.357 0.663 . . . . 0.0 110.43 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.0 m -132.34 79.56 1.86 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.378 1.071 . . . . 0.0 108.977 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.07 -116.26 4.4 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -175.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -100.39 8.13 43.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.513 0.725 . . . . 0.0 110.778 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -98.93 154.32 18.15 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.875 1.27 . . . . 0.0 110.136 170.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.2 t -143.54 118.32 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.804 1.242 . . . . 0.0 108.884 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.9 125.05 37.32 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -131.8 131.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.888 0.875 . . . . 0.0 109.979 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.17 139.99 14.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -124.82 130.9 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.87 0.843 . . . . 0.0 109.564 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -133.0 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.536 -168.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.04 157.64 50.12 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.53 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -60.28 155.78 44.21 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 121.738 1.625 . . . . 0.0 109.903 168.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.878 0.871 . . . . 0.0 111.736 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.85 -24.21 66.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.959 1.704 . . . . 0.0 110.955 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.45 144.14 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.531 1.132 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.61 141.4 29.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.518 0.675 . . . . 0.0 111.231 171.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.436 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 5.9 t -142.6 99.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.832 -166.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.7 OUTLIER -145.92 168.11 21.63 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 122.86 0.464 . . . . 0.0 111.212 178.247 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 21.0 ptt-85 -79.26 162.09 25.89 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.805 0.442 . . . . 0.0 112.106 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.1 -43.76 70.68 Favored 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 123.432 0.693 . . . . 0.0 112.244 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.22 -3.85 8.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -107.21 -50.88 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.847 1.259 . . . . 0.0 110.085 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -49.01 -37.77 21.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.814 1.646 . . . . 0.0 112.253 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.8 -24.68 65.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -79.54 -40.52 29.36 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.718 0.69 . . . . 0.0 110.469 171.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.07 -40.24 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -80.15 4.93 15.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.53 38.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.127 0.571 . . . . 0.0 111.955 169.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.8 45.67 0.07 OUTLIER Glycine 0 C--N 1.338 0.649 0 CA-C-O 119.431 -0.649 . . . . 0.0 114.663 169.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -168.97 -176.41 2.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.939 0.87 . . . . 0.0 112.802 -168.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -125.51 -177.75 4.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.341 1.457 . . . . 0.0 109.208 167.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.88 126.09 1.97 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 124.163 0.985 . . . . 0.0 111.826 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -63.71 -176.39 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.575 2.85 . . . . 0.0 113.576 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 124.321 1.049 . . . . 0.0 112.637 174.401 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.08 108.7 17.35 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.14 134.29 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.989 0.916 . . . . 0.0 109.538 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -131.79 135.0 46.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.462 1.105 . . . . 0.0 110.102 170.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.3 p -98.76 139.23 34.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.151 0.58 . . . . 0.0 111.206 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.51 131.46 27.77 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.483 0.713 . . . . 0.0 110.623 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.5 tptm -74.86 156.11 36.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 168.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.51 136.29 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 O-C-N 121.551 -0.718 . . . . 0.0 111.733 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.82 -4.07 84.89 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.557 1.075 . . . . 0.0 114.222 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -86.49 174.83 8.7 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.173 1.487 . . . . 0.0 112.421 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -134.76 158.91 42.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mm -143.23 153.14 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 128.345 2.658 . . . . 0.0 107.789 -172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -133.19 147.65 52.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.297 -0.877 . . . . 0.0 112.15 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.06 130.61 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.415 1.086 . . . . 0.0 108.939 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -139.12 42.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.23 10.0 9.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.126 0.97 . . . . 0.0 112.005 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.17 -17.69 10.18 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.34 1.056 . . . . 0.0 113.088 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.51 139.74 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 118.842 0.746 . . . . 0.0 111.424 -169.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -128.38 140.7 51.71 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.915 1.286 . . . . 0.0 109.242 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.95 140.41 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.475 1.11 . . . . 0.0 108.441 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -137.74 130.08 29.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.018 -0.426 . . . . 0.0 110.414 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.96 123.94 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -98.55 -38.02 9.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -175.38 45.38 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.209 -0.519 . . . . 0.0 114.103 168.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -122.46 149.39 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.593 0.757 . . . . 0.0 110.589 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -143.0 102.16 3.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.677 1.191 . . . . 0.0 108.645 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.4 -127.62 20.71 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -169.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.51 -0.83 54.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.823 0.849 . . . . 0.0 112.124 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.82 153.44 24.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.847 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.97 123.02 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.95 1.3 . . . . 0.0 108.003 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -86.25 112.33 21.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.55 130.89 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.756 1.223 . . . . 0.0 109.065 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 137.28 13.16 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 124.055 0.836 . . . . 0.0 111.529 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.08 123.19 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.497 1.119 . . . . 0.0 108.609 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.13 93.66 3.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.812 0.445 . . . . 0.0 110.003 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.98 154.36 81.69 Favored Pre-proline 0 N--CA 1.453 -0.301 0 C-N-CA 124.476 1.11 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.61 151.69 74.05 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.506 2.137 . . . . 0.0 110.926 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -65.08 -1.0 1.86 Allowed 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.525 0.73 . . . . 0.0 112.453 172.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.03 -19.81 65.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.831 0.853 . . . . 0.0 111.648 168.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.37 141.33 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.237 1.015 . . . . 0.0 110.303 174.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.74 23.6 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.205 -0.309 . . . . 0.0 111.313 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -137.74 133.57 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.59 . . . . 0.0 110.138 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.44 163.63 38.31 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.826 0.85 . . . . 0.0 111.367 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.74 159.36 19.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 166.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.83 -35.12 68.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -67.38 -26.68 66.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.2 mm -91.77 -37.41 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.454 0.702 . . . . 0.0 110.371 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -51.56 -36.64 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.147 0.979 . . . . 0.0 112.513 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.32 -30.57 66.78 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.396 0.678 . . . . 0.0 111.858 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.24 -20.9 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -92.29 -10.97 36.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.601 0.76 . . . . 0.0 112.461 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.0 -23.52 38.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 112.096 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.69 140.39 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 123.927 0.775 . . . . 0.0 111.448 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 164.01 37.66 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.062 0.945 . . . . 0.0 111.553 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.7 p -102.4 -7.55 21.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.354 1.062 . . . . 0.0 112.524 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.91 91.46 24.56 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 124.177 0.991 . . . . 0.0 110.419 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -67.06 177.67 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.406 2.738 . . . . 0.0 113.137 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.455 -0.192 0 C-N-CA 123.885 0.874 . . . . 0.0 112.675 175.816 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.785 -0.08 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -113.65 114.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.618 1.567 . . . . 0.0 108.197 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.28 136.7 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.607 1.163 . . . . 0.0 109.461 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.01 142.76 27.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.313 1.445 . . . . 0.0 108.586 -168.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.48 117.37 30.18 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -171.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -124.95 131.89 53.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.735 0.814 . . . . 0.0 111.131 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -76.74 156.23 32.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.676 0.671 . . . . 0.0 110.881 169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 23.8 m -48.81 137.78 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.943 169.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.99 -3.69 86.81 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.383 0.992 . . . . 0.0 114.121 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -95.46 170.86 9.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.991 1.396 . . . . 0.0 112.068 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -127.42 155.26 43.94 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mt -137.59 160.07 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 127.51 2.324 . . . . 0.0 108.212 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -138.16 149.21 45.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.264 -0.897 . . . . 0.0 111.759 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.89 135.96 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.679 1.192 . . . . 0.0 109.083 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.53 -137.72 49.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.24 7.67 9.69 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.013 0.925 . . . . 0.0 111.824 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.72 -11.5 3.45 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -171.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.02 136.17 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.751 0.705 . . . . 0.0 110.719 -172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 59.7 m -122.46 149.71 43.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.404 1.082 . . . . 0.0 109.938 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -132.15 144.11 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.1 1.76 . . . . 0.0 107.576 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -142.34 132.08 24.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.878 -0.514 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -86.96 90.06 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.22 -36.5 77.85 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.752 0.421 . . . . 0.0 110.687 -172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.43 -175.78 45.52 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-O 121.294 0.385 . . . . 0.0 112.983 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.74 134.21 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.806 1.242 . . . . 0.0 109.807 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.2 m -135.68 89.76 2.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.944 0.898 . . . . 0.0 110.021 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.53 -114.15 5.77 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.452 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -101.52 -2.55 30.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.422 0.689 . . . . 0.0 110.822 173.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.473 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 63.3 mt-30 -76.41 155.27 34.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.528 0.68 . . . . 0.0 111.395 169.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -129.57 120.85 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 169.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -95.17 102.64 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.529 1.132 . . . . 0.0 108.517 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.19 124.54 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.564 0.745 . . . . 0.0 109.954 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.63 133.05 11.41 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -121.77 139.32 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.814 0.846 . . . . 0.0 108.759 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.07 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.155 0.582 . . . . 0.0 109.76 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.64 156.97 60.75 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.483 1.113 . . . . 0.0 109.815 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -61.67 151.46 80.29 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.082 1.855 . . . . 0.0 110.306 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.18 -0.95 1.92 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.297 0.639 . . . . 0.0 112.423 169.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -65.93 -24.11 66.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.855 1.262 . . . . 0.0 111.062 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.99 159.58 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.673 1.189 . . . . 0.0 110.539 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 157.13 16.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.141 0.577 . . . . 0.0 111.793 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.95 125.35 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.816 -0.552 . . . . 0.0 110.894 169.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -148.09 171.63 15.56 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.87 0.868 . . . . 0.0 111.845 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -71.23 157.27 38.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.18 -29.1 70.23 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.806 -0.559 . . . . 0.0 111.8 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.49 -25.98 61.62 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.86 0.864 . . . . 0.0 112.801 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -88.05 -38.42 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.504 1.122 . . . . 0.0 110.784 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.47 -40.74 68.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.135 0.974 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.89 -22.09 66.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . 0.496 ' HD3' ' C5 ' ' G' ' 7' ' ' ' C' . 13.3 ttt180 -76.85 -37.06 56.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.724 0.81 . . . . 0.0 111.563 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt -80.4 -40.43 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -77.26 2.1 16.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.184 0.994 . . . . 0.0 111.381 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.87 -19.62 65.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.521 0.729 . . . . 0.0 111.091 168.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.62 36.62 0.2 Allowed Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.954 -0.914 . . . . 0.0 114.095 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -159.2 -174.36 4.67 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.83 1.315 . . . . 0.0 113.763 -167.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 25.9 m -126.86 154.44 44.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.841 1.656 . . . . 0.0 107.638 167.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.16 124.84 7.07 Favored Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.5 168.41 13.08 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.121 1.881 . . . . 0.0 114.812 -172.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.843 -177.22 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ttt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.85 106.67 7.86 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 122.898 2.59 . . . . 0.0 109.888 165.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.7 136.62 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.613 1.165 . . . . 0.0 109.919 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.5 165.01 25.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.038 1.735 . . . . 0.0 110.66 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.65 7.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 167.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -115.48 128.52 56.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.997 1.719 . . . . 0.0 109.512 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -93.17 167.58 11.67 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 120.024 1.284 . . . . 0.0 112.589 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -60.82 138.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.588 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.74 84.64 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.132 0.872 . . . . 0.0 113.917 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -95.0 174.79 6.91 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.548 1.174 . . . . 0.0 111.691 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -133.79 157.3 46.25 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -169.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -138.38 159.42 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 126.957 2.103 . . . . 0.0 108.045 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -138.31 150.99 47.16 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.329 -0.857 . . . . 0.0 113.189 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -137.44 138.62 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.746 1.218 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -138.88 48.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.72 10.11 7.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.956 0.902 . . . . 0.0 112.388 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.37 -12.13 5.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.44 135.29 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 119.309 0.959 . . . . 0.0 111.313 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.3 m -124.46 144.24 50.19 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.52 1.128 . . . . 0.0 109.989 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -124.64 139.65 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.164 1.386 . . . . 0.0 108.219 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.32 130.79 39.35 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.968 0.507 . . . . 0.0 110.09 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.26 103.14 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.13 -28.71 57.54 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.085 -0.385 . . . . 0.0 111.144 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -171.46 34.62 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.016 0.341 . . . . 0.0 113.841 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.5 158.85 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.809 0.843 . . . . 0.0 112.309 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.98 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.677 1.191 . . . . 0.0 109.295 168.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.79 -111.9 3.84 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.509 -0.745 . . . . 0.0 111.668 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -92.06 -17.79 24.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.77 0.785 . . . . 0.0 111.488 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.47 143.87 44.46 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.526 0.679 . . . . 0.0 110.049 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.28 112.91 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -85.7 125.79 33.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -133.42 135.1 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.334 0.653 . . . . 0.0 110.31 -169.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.23 143.36 15.65 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.526 1.06 . . . . 0.0 111.691 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -133.18 123.87 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.847 1.259 . . . . 0.0 108.915 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -124.06 99.58 6.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.153 0.581 . . . . 0.0 109.684 -172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.41 155.82 71.89 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.336 1.054 . . . . 0.0 110.455 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.95 159.0 35.7 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.825 2.35 . . . . 0.0 111.949 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -69.09 -0.91 6.46 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.413 0.685 . . . . 0.0 112.575 169.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.01 -23.45 67.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.758 1.223 . . . . 0.0 111.518 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -121.93 156.0 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.329 1.052 . . . . 0.0 110.848 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.11 155.68 17.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.713 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.09 125.09 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.069 0.548 . . . . 0.0 110.044 170.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -150.0 163.45 38.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.861 0.865 . . . . 0.0 110.662 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -69.0 159.56 32.59 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.48 -28.14 69.76 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.054 -0.404 . . . . 0.0 111.403 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.15 -45.08 79.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -83.83 -33.69 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.088 0.955 . . . . 0.0 109.88 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.0 -30.73 60.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.926 0.891 . . . . 0.0 112.63 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -61.6 -21.81 64.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.312 1.045 . . . . 0.0 112.895 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -77.88 -53.54 7.35 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 111.089 169.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -41.05 -63.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.066 0 C-N-CA 127.291 2.236 . . . . 0.0 113.402 -169.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 2.91 31.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.159 0.983 . . . . 0.0 113.074 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.03 -12.12 60.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.124 0.57 . . . . 0.0 112.143 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.02 21.15 0.18 Allowed Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.411 -0.661 . . . . 0.0 113.798 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -102.04 -13.98 17.32 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.245 1.023 . . . . 0.0 112.324 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 24.8 p -64.26 -26.14 68.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.985 0.914 . . . . 0.0 111.899 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.7 130.1 24.77 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 124.784 1.234 . . . . 0.0 109.219 168.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -66.84 -177.79 1.08 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.715 2.277 . . . . 0.0 113.376 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 113.046 -179.12 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.11 147.58 22.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.017 -0.427 . . . . 0.0 111.525 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.07 137.46 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.131 0.973 . . . . 0.0 108.643 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt -136.63 164.97 26.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.402 1.081 . . . . 0.0 109.366 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.22 97.96 4.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 169.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -104.9 162.05 13.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.518 1.127 . . . . 0.0 110.361 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.78 168.57 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -55.32 134.16 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.209 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.39 68.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.422 1.011 . . . . 0.0 114.685 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -91.14 175.44 6.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.06 1.43 . . . . 0.0 112.588 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -136.54 155.56 49.78 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.5 0.72 . . . . 0.0 112.775 -172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 36.7 mt -137.28 152.8 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 126.184 1.794 . . . . 0.0 108.764 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -120.66 148.74 43.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.879 0.872 . . . . 0.0 112.382 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.46 141.02 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.632 1.173 . . . . 0.0 108.758 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -135.25 52.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -120.9 3.95 10.51 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.044 0.938 . . . . 0.0 112.047 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.45 -12.56 1.36 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.4 137.24 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.187 0.903 . . . . 0.0 110.5 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -126.89 142.64 51.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.258 1.023 . . . . 0.0 110.35 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -123.22 134.7 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.46 1.504 . . . . 0.0 108.406 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.09 133.75 44.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.469 0.708 . . . . 0.0 110.051 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -95.39 106.21 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.63 -30.78 41.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.01 -0.431 . . . . 0.0 110.771 -171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 -176.04 34.61 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.037 0.351 . . . . 0.0 113.392 169.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.84 153.0 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.688 0.795 . . . . 0.0 111.853 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -141.91 89.9 2.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.084 1.354 . . . . 0.0 108.884 169.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.26 -103.25 1.05 Allowed Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.936 -0.477 . . . . 0.0 112.025 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -98.73 -22.18 16.02 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 117.567 0.683 . . . . 0.0 112.107 171.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -71.6 141.87 50.0 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 109.905 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -131.66 115.67 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -87.58 120.2 28.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.95 138.7 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.242 1.017 . . . . 0.0 109.564 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.57 16.6 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.904 0.764 . . . . 0.0 111.351 172.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.9 mt -131.84 130.51 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.47 1.108 . . . . 0.0 109.508 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -125.15 107.02 10.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.68 157.8 77.06 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 123.989 0.915 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.09 161.95 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.046 2.498 . . . . 0.0 112.283 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.9 -4.32 12.53 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.58 -24.18 66.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.237 1.415 . . . . 0.0 112.137 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -127.13 164.15 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.257 1.023 . . . . 0.0 110.974 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.33 13.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.087 0.555 . . . . 0.0 111.437 169.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.0 122.53 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.494 0.718 . . . . 0.0 109.831 171.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -153.06 175.28 13.16 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.721 0.808 . . . . 0.0 110.793 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -74.63 161.15 29.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -62.24 -30.45 71.12 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.144 -0.347 . . . . 0.0 111.771 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.02 -40.53 73.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.28 1.032 . . . . 0.0 111.79 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.92 -35.55 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.233 1.013 . . . . 0.0 110.447 -171.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -46.14 -40.55 11.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.696 1.598 . . . . 0.0 112.348 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.35 -22.02 17.62 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.243 1.017 . . . . 0.0 113.289 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.1 -22.9 38.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 111.272 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.62 -27.06 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.709 1.203 . . . . 0.0 109.846 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -85.35 -51.53 6.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 170.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.85 -20.65 17.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -164.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.87 -25.97 0.47 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 118.869 0.759 . . . . 0.0 112.434 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.23 158.19 0.12 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 128.866 2.867 . . . . 0.0 113.25 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 41.9 p -93.57 -4.04 51.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.757 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.22 135.07 24.91 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.273 1.029 . . . . 0.0 109.789 169.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -65.52 179.3 1.71 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.903 2.402 . . . . 0.0 114.045 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.643 1.177 . . . . 0.0 112.966 177.051 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 112.181 3.981 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.654 3.454 . 0.328 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.381 4.181 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . 0.473 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 111.792 3.592 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.58 3.38 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-O4' 114.461 3.758 . 0.023 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.496 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 O4'-C1'-N19 112.234 4.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C3'-C2'-C1' 103.868 2.631 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.375 0 O5'-C5'-C4' 113.473 2.338 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 0 C5'-C4'-C3' 109.994 -3.671 . 0.125 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.329 3.129 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-C3' 112.296 -2.136 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 C5'-C4'-C3' 108.392 -4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.315 -2.385 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.855 3.655 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 0 N19-C1'-C2' 109.214 -2.616 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 110.334 -3.444 . 0.586 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 110.963 2.763 . 0.43 2u . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 2 O4'-C1'-N19 114.286 6.086 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . 0.41 HO2' " H5'" ' G' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.404 4.204 . 0.254 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . 0.41 " H5'" HO2' ' G' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.022 1 O4'-C1'-N19 112.239 4.039 . 0.381 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 113.298 2.927 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.719 4.519 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 112.165 3.965 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 N19-C1'-C2' 108.688 -2.945 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 O4'-C1'-N19 111.385 3.185 . 0.61 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C5'-C4'-C3' 111.88 -2.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.436 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-C3' 112.219 -2.187 . 0.099 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 112.016 -2.323 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 111.593 3.393 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 100.314 -2.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.04 2.84 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 O4'-C1'-N19 112.293 4.093 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.275 -3.425 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C4'-C3'-C2' 99.571 -3.129 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 112.019 3.819 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 109.569 -3.954 . 0.707 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 O4'-C1'-N19 112.1 3.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C3'-C2'-C1' 103.851 2.612 . 0.317 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 113.505 5.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 C5'-C4'-C3' 108.768 -4.488 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.457 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 O4'-C1'-N19 112.316 4.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.457 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.592 4.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.081 2.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.525 4.325 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.563 -3.137 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . 0.466 ' H42' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 112.354 4.154 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.469 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 104.951 3.835 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.469 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C4'-C3'-C2' 99.483 -3.217 . 0.011 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.27 3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.366 0 C5'-C4'-C3' 111.103 -2.931 . 0.447 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O5'-C5'-C4' 117.052 4.894 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C5'-C4'-C3' 112.019 -2.32 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 112.136 3.936 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 100.012 -2.688 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 O4'-C1'-N19 110.695 2.495 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 111.019 -2.987 . 0.01 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 2 C3'-C2'-C1' 105.391 4.323 . 0.185 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.335 4.135 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 O4'-C1'-N19 111.444 3.244 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.536 3.336 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.917 3.717 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.409 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C5'-C4'-C3' 111.275 -2.817 . 0.439 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.409 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C4'-C3'-C2' 98.887 -3.813 . 0.015 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 P-O3'-C3' 122.723 2.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C5'-C4'-C3' 111.073 -2.952 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 2 C5'-C4'-C3' 105.465 -6.69 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 P-O3'-C3' 125.529 4.857 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.131 2.931 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 112.137 3.937 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.375 3.175 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 112.048 3.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 118.983 -0.532 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 113.08 24.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.87 0.868 . . . . 0.0 109.646 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.77 136.31 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.926 0.891 . . . . 0.0 109.537 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.98 159.4 40.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.44 1.096 . . . . 0.0 110.066 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 m -128.02 100.93 6.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.776 0.83 . . . . 0.0 108.9 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -123.6 159.05 30.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.029 0.532 . . . . 0.0 111.11 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -110.0 161.71 15.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.991 0.917 . . . . 0.0 110.764 -168.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.96 123.77 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.859 0.464 . . . . 0.0 110.646 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.51 -2.73 65.23 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.469 1.033 . . . . 0.0 114.089 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -95.89 166.78 11.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.73 1.265 . . . . 0.0 112.139 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -132.9 152.78 51.82 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -168.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 3.5 mm -116.08 157.59 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 126.207 1.803 . . . . 0.0 109.808 169.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.41 136.86 48.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.186 0.995 . . . . 0.0 110.823 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.5 136.17 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.606 1.163 . . . . 0.0 110.05 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.49 -129.81 28.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -125.79 -1.78 7.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.895 0.878 . . . . 0.0 112.338 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -135.91 -18.78 1.58 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -100.96 136.68 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.865 0.757 . . . . 0.0 110.301 -172.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -135.6 144.22 46.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.615 0.766 . . . . 0.0 109.331 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -126.0 142.34 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 108.514 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -136.65 130.57 32.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.012 0.525 . . . . 0.0 110.077 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.33 101.95 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 169.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.22 -30.83 60.7 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.172 -0.33 . . . . 0.0 110.206 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -177.5 42.52 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 113.874 0.309 . . . . 0.0 113.874 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.82 152.98 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.312 1.045 . . . . 0.0 111.084 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -136.71 60.91 1.65 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.452 1.101 . . . . 0.0 109.677 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.59 -120.17 5.3 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.08 -12.63 56.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.513 0.725 . . . . 0.0 111.95 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -99.06 152.99 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.869 0.842 . . . . 0.0 112.0 170.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.19 138.2 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.63 1.972 . . . . 0.0 108.421 -169.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -119.59 104.29 10.16 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.44 136.94 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.824 1.649 . . . . 0.0 109.537 -170.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 139.26 14.69 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.762 0.696 . . . . 0.0 111.614 170.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.72 136.43 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.102 1.361 . . . . 0.0 108.353 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -123.81 74.99 1.31 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.529 1.132 . . . . 0.0 109.267 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.9 153.72 44.39 Favored Pre-proline 0 N--CA 1.453 -0.276 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.702 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.58 153.31 60.1 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.491 2.127 . . . . 0.0 110.569 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -66.49 -7.24 18.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.07 -26.56 66.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.991 0.917 . . . . 0.0 112.25 170.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.36 144.07 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.066 0.936 . . . . 0.0 112.145 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.53 143.04 40.64 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.089 1.355 . . . . 0.0 111.79 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.7 t -129.2 120.97 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.69 172.47 14.01 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.661 0.784 . . . . 0.0 111.468 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.17 159.57 14.86 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.646 0.778 . . . . 0.0 109.852 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.7 -25.79 66.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.068 0.849 . . . . 0.0 112.189 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -75.66 -7.39 54.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.64 -28.65 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 C-N-CA 124.423 1.089 . . . . 0.0 111.273 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -64.76 -31.76 73.13 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.423 -0.798 . . . . 0.0 110.506 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -75.5 -11.72 60.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.197 0.599 . . . . 0.0 111.742 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -33.15 31.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.227 1.011 . . . . 0.0 110.803 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mt -64.09 -53.36 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.931 0.892 . . . . 0.0 108.839 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -84.09 5.07 27.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.657 0.783 . . . . 0.0 112.341 -175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.12 69.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.595 0.358 . . . . 0.0 111.009 168.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.11 18.29 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.013 -0.882 . . . . 0.0 113.521 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.8 90.65 6.13 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.914 1.357 . . . . 0.0 108.201 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 168.44 169.31 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 127.124 2.17 . . . . 0.0 108.287 -169.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.69 149.5 46.3 Favored Pre-proline 0 N--CA 1.453 -0.315 0 O-C-N 121.894 -0.504 . . . . 0.0 110.277 168.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.75 159.88 38.19 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.209 2.606 . . . . 0.0 111.821 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 178.4 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -111.35 119.76 39.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.308 1.443 . . . . 0.0 107.19 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.56 137.06 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -165.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.6 144.16 37.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.686 1.194 . . . . 0.0 110.863 -170.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.5 m -111.76 125.73 54.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.401 0.68 . . . . 0.0 109.588 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -133.24 139.54 47.01 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.484 1.113 . . . . 0.0 111.021 -174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -81.71 155.4 25.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.904 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.58 130.25 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.11 -5.92 63.57 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.786 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -92.25 162.58 14.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.174 1.487 . . . . 0.0 111.984 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -128.69 156.54 43.32 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mm -141.13 150.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.266 2.226 . . . . 0.0 108.482 -170.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.16 142.61 49.53 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 121.203 -0.936 . . . . 0.0 111.509 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.33 130.16 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.032 0.933 . . . . 0.0 109.659 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.41 50.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -125.04 5.04 7.93 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.869 0.868 . . . . 0.0 112.769 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -115.63 -20.62 10.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.91 136.79 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.003 0.82 . . . . 0.0 111.395 -169.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -130.43 147.65 52.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.008 1.323 . . . . 0.0 109.609 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -130.33 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.679 1.592 . . . . 0.0 108.172 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -135.8 130.98 34.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.782 0.433 . . . . 0.0 110.295 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.73 109.27 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 169.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -80.49 -30.5 37.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.772 -0.58 . . . . 0.0 111.143 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 179.97 36.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 113.424 0.129 . . . . 0.0 113.424 170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.9 151.69 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.359 0.664 . . . . 0.0 110.848 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -132.95 79.47 1.84 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.801 1.24 . . . . 0.0 108.565 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.61 -114.97 4.61 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.97 7.38 39.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.743 0.817 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.89 146.63 25.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.596 1.158 . . . . 0.0 109.357 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.01 119.7 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 109.593 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 120.76 30.74 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.882 1.273 . . . . 0.0 109.469 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.24 133.69 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.11 0.964 . . . . 0.0 109.921 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.28 139.56 14.53 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mt -122.55 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 123.957 0.903 . . . . 0.0 108.815 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -131.84 80.73 1.93 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.532 -167.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.84 157.15 72.52 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.467 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -57.36 153.48 40.43 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.708 1.605 . . . . 0.0 110.399 169.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.583 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.8 mmtm -68.39 -0.62 5.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.103 0.561 . . . . 0.0 111.88 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -29.53 69.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.403 1.481 . . . . 0.0 111.58 172.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -105.21 144.11 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.251 1.02 . . . . 0.0 110.401 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -87.02 141.83 28.38 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.722 0.772 . . . . 0.0 111.33 169.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.76 95.75 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 -166.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.42 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -142.49 157.52 44.66 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.755 -0.59 . . . . 0.0 111.29 176.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.8 ptt-85 -67.41 155.76 38.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.537 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -54.39 -41.1 68.86 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.36 0.664 . . . . 0.0 112.479 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.73 -23.17 67.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -87.32 -50.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.215 1.006 . . . . 0.0 110.414 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -51.32 -35.9 40.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.663 1.185 . . . . 0.0 112.043 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.37 -21.06 62.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -81.69 -37.18 27.8 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.373 0.988 . . . . 0.0 110.62 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -41.67 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -79.35 5.09 13.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -20.74 41.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.009 0.523 . . . . 0.0 111.896 169.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.97 46.16 0.06 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-O 119.347 -0.696 . . . . 0.0 114.679 168.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.0 -176.18 2.56 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.022 0.911 . . . . 0.0 112.894 -168.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 9.3 m -122.71 170.56 9.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.309 1.444 . . . . 0.0 108.537 168.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.96 118.77 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.078 1.351 . . . . 0.0 111.891 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -66.19 176.46 3.9 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.595 2.197 . . . . 0.0 113.311 -170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.108 0.963 . . . . 0.0 112.544 177.608 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.37 108.7 19.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 166.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.57 135.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.837 0.855 . . . . 0.0 109.842 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -128.78 134.97 48.56 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.761 0.824 . . . . 0.0 109.487 168.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -92.66 144.76 25.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 110.094 169.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.428 ' HE ' ' C ' ' C' ' 10' ' ' GLU . 1.5 mtp-105 -146.08 164.0 33.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 171.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.506 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.7 tptm -100.36 155.54 17.74 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.934 0.894 . . . . 0.0 109.369 170.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.74 134.18 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 118.189 0.45 . . . . 0.0 111.596 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.85 -7.07 64.88 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.946 1.26 . . . . 0.0 114.743 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.428 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 18.5 mm-40 -91.12 175.31 6.99 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.342 1.571 . . . . 0.0 112.976 -173.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -128.52 153.04 47.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.6 156.83 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.547 2.339 . . . . 0.0 108.392 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -125.3 148.84 48.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.887 0.875 . . . . 0.0 111.91 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.22 131.8 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.543 1.137 . . . . 0.0 108.721 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.09 -138.22 43.11 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -170.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -122.19 9.91 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.184 0.993 . . . . 0.0 111.947 169.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -118.48 -17.71 9.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.366 1.066 . . . . 0.0 113.223 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.42 140.87 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.774 0.715 . . . . 0.0 111.099 -169.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -129.11 140.8 51.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.758 1.223 . . . . 0.0 109.395 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -119.27 135.61 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.829 1.252 . . . . 0.0 108.737 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -128.89 133.56 47.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.335 0.654 . . . . 0.0 109.79 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 tp -94.7 126.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.54 -38.98 7.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -171.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.46 -173.53 44.9 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.846 168.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.28 155.06 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -144.44 102.94 3.9 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.552 1.141 . . . . 0.0 108.965 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.91 -119.49 15.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -171.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.43 -0.56 43.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.087 0.955 . . . . 0.0 111.843 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -88.56 155.23 19.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.647 0.737 . . . . 0.0 111.66 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.57 122.64 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.086 1.354 . . . . 0.0 108.266 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -84.26 113.72 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 mt -118.05 132.26 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.358 1.463 . . . . 0.0 109.511 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.55 140.23 15.01 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.315 0.959 . . . . 0.0 111.949 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.14 127.93 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.582 1.153 . . . . 0.0 108.384 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -128.33 95.13 4.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.082 -0.386 . . . . 0.0 110.247 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.92 157.23 78.25 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 124.654 1.181 . . . . 0.0 110.254 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.21 151.22 83.43 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.522 2.148 . . . . 0.0 111.01 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.28 -0.99 2.91 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.265 0.626 . . . . 0.0 112.645 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.88 -22.24 66.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.321 1.048 . . . . 0.0 111.508 169.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.62 147.14 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.113 0.965 . . . . 0.0 110.406 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.58 156.76 20.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.594 0.358 . . . . 0.0 111.393 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -137.78 131.61 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.182 0.593 . . . . 0.0 109.817 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -155.1 164.24 39.14 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.365 0.666 . . . . 0.0 111.788 -174.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -75.56 157.29 34.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 166.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.78 -35.81 77.37 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.591 0.632 . . . . 0.0 111.69 -175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.68 -17.58 61.63 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.56 -36.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.672 0.789 . . . . 0.0 110.616 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -52.63 -34.83 53.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.087 1.355 . . . . 0.0 112.5 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -59.49 -29.46 67.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.768 0.827 . . . . 0.0 112.428 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.09 -36.56 77.72 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.637 0.775 . . . . 0.0 111.816 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.8 -19.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 O-C-N 121.927 -0.483 . . . . 0.0 109.808 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -90.84 -1.07 57.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.189 0.596 . . . . 0.0 112.119 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.22 -23.34 16.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.405 1.082 . . . . 0.0 112.767 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.01 131.18 3.68 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -175.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.46 -20.38 14.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.314 0.646 . . . . 0.0 112.315 -169.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 58.02 17.8 4.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.15 1.38 . . . . 0.0 112.792 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.04 96.79 2.29 Favored Pre-proline 0 N--CA 1.454 -0.259 0 C-N-CA 124.263 1.025 . . . . 0.0 109.97 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.2 145.48 88.98 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.057 2.505 . . . . 0.0 112.242 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 125.758 1.623 . . . . 0.0 114.112 175.359 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -116.21 115.23 25.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.202 1.801 . . . . 0.0 106.867 166.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.43 134.99 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 109.429 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 55.1 mt -123.66 171.15 9.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.153 1.381 . . . . 0.0 110.12 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.64 109.88 8.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.04 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.35 148.92 45.54 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.784 0.834 . . . . 0.0 110.822 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -76.96 160.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.207 0.527 . . . . 0.0 111.561 173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.88 138.69 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.41 0.684 . . . . 0.0 111.345 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.34 -4.97 85.84 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.16 0.886 . . . . 0.0 113.917 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.99 167.6 13.56 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.952 1.376 . . . . 0.0 112.463 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.03 154.45 44.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.831 0.852 . . . . 0.0 112.4 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -144.27 160.57 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 127.466 2.307 . . . . 0.0 107.973 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -139.88 152.27 46.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.223 -0.923 . . . . 0.0 112.71 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.07 138.75 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.039 1.335 . . . . 0.0 109.001 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.02 -136.05 50.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.92 10.03 8.21 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.316 1.046 . . . . 0.0 111.573 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -134.41 -11.88 2.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -170.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.43 137.06 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.788 0.722 . . . . 0.0 110.559 -172.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 46.5 m -120.25 145.48 46.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.396 1.078 . . . . 0.0 109.924 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -127.07 139.12 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.532 1.533 . . . . 0.0 107.843 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 9.4 m -136.01 128.13 29.8 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.63 105.25 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.28 -30.29 48.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.126 0.57 . . . . 0.0 110.59 -173.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.56 -172.11 39.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 169.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -111.75 161.02 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.492 0.717 . . . . 0.0 110.745 169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -144.63 77.06 1.52 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.594 0.758 . . . . 0.0 109.711 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.47 -114.44 3.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -174.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.506 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.8 mp0 -95.64 -1.29 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.401 0.68 . . . . 0.0 110.179 171.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.38 154.63 34.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.461 0.648 . . . . 0.0 112.363 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.19 120.99 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.716 1.606 . . . . 0.0 107.205 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -95.68 114.64 26.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.454 1.102 . . . . 0.0 108.58 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.03 129.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.217 0.607 . . . . 0.0 110.409 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.22 136.77 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.74 140.74 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 171.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -137.98 90.88 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.233 0.613 . . . . 0.0 109.543 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.91 156.73 65.17 Favored Pre-proline 0 N--CA 1.452 -0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.139 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.72 152.01 83.56 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.392 2.061 . . . . 0.0 110.535 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -69.95 -1.03 8.47 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.85 -22.23 65.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.616 1.166 . . . . 0.0 111.308 168.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -126.19 160.08 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.401 1.08 . . . . 0.0 110.657 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.68 157.02 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.053 0.541 . . . . 0.0 112.075 -175.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.8 124.08 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 122.844 0.458 . . . . 0.0 110.501 169.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.71 161.25 42.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.354 0.662 . . . . 0.0 112.291 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -64.86 156.0 32.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.698 0.399 . . . . 0.0 109.999 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.02 -33.14 70.4 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.031 0.532 . . . . 0.0 111.957 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.12 -47.62 85.13 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.055 0.942 . . . . 0.0 111.641 172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -74.26 -39.5 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 124.29 1.036 . . . . 0.0 110.305 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -51.53 -38.46 54.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.4 -24.25 62.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.92 -36.36 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.283 0.947 . . . . 0.0 110.176 170.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -81.94 -41.35 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -76.21 1.96 14.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.095 0.558 . . . . 0.0 111.724 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.68 -15.1 62.47 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 168.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.46 33.62 0.48 Allowed Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.965 -0.908 . . . . 0.0 114.271 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.26 -169.16 1.9 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.74 1.27 . . . . 0.0 113.291 -167.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 19.7 p -128.07 163.06 25.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.915 1.686 . . . . 0.0 108.667 166.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.12 129.89 23.29 Favored Pre-proline 0 N--CA 1.454 -0.248 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -168.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -65.53 176.76 3.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.964 2.443 . . . . 0.0 114.193 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.453 -0.323 0 C-N-CA 124.538 1.135 . . . . 0.0 112.458 177.098 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ttt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt -86.77 116.07 24.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.38 0.991 . . . . 0.0 110.59 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.88 140.22 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.825 1.25 . . . . 0.0 109.59 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -137.86 160.33 39.57 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.159 1.383 . . . . 0.0 111.221 -171.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.79 100.7 4.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 166.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -117.77 143.16 46.5 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 124.61 1.164 . . . . 0.0 112.167 -168.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -85.45 159.17 20.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.745 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -59.21 135.54 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 111.257 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -7.89 77.64 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.204 0.907 . . . . 0.0 114.44 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.33 164.65 16.14 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.075 1.438 . . . . 0.0 111.913 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -136.26 152.73 51.03 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 mm -137.94 150.96 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 126.972 2.109 . . . . 0.0 108.156 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -132.05 144.37 50.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.335 -0.853 . . . . 0.0 112.009 -169.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -134.4 139.7 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.59 1.156 . . . . 0.0 109.207 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.04 -134.42 52.4 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.43 9.66 7.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.648 0.779 . . . . 0.0 111.54 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -136.49 -8.52 1.94 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.45 134.86 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.947 0.794 . . . . 0.0 110.506 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -128.54 142.42 51.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.008 0.923 . . . . 0.0 110.459 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -120.37 140.48 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.722 1.609 . . . . 0.0 108.092 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -137.59 126.15 23.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.12 0.568 . . . . 0.0 109.997 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -75.45 111.13 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 169.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.51 -35.08 53.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.158 -0.339 . . . . 0.0 110.147 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 178.5 31.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.077 0.37 . . . . 0.0 113.388 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.46 156.94 6.95 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 123.539 0.735 . . . . 0.0 111.909 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.6 89.93 1.74 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.5 1.12 . . . . 0.0 109.521 169.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 -109.45 2.88 Favored Glycine 0 CA--C 1.525 0.679 0 O-C-N 121.698 -0.627 . . . . 0.0 111.765 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -95.0 -22.29 18.04 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.61 0.705 . . . . 0.0 111.776 171.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -73.28 146.11 45.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.344 0.592 . . . . 0.0 110.199 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.82 116.01 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -89.65 123.69 33.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.49 126.9 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.97 0.908 . . . . 0.0 110.191 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.04 142.1 16.68 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.077 0.846 . . . . 0.0 111.55 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -134.49 123.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.019 1.327 . . . . 0.0 108.779 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -125.14 99.93 6.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.065 0.546 . . . . 0.0 109.556 -170.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.32 155.55 73.97 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 124.476 1.11 . . . . 0.0 110.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.86 158.62 46.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.161 2.574 . . . . 0.0 112.148 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -72.48 -0.88 13.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 172.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.82 -21.62 66.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.289 1.036 . . . . 0.0 111.514 169.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -124.19 159.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.168 0.987 . . . . 0.0 110.705 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.53 155.99 16.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.08 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.83 125.26 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.984 0.514 . . . . 0.0 110.273 169.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -151.42 169.41 22.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.58 1.152 . . . . 0.0 109.589 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 29.6 ptt-85 -78.5 166.46 22.57 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.622 -0.674 . . . . 0.0 110.523 169.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.41 -26.06 68.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.14 -48.97 79.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.046 0.938 . . . . 0.0 111.888 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -79.79 -32.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.716 0.806 . . . . 0.0 109.878 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.1 -34.71 63.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.404 1.082 . . . . 0.0 112.824 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.45 -25.15 65.75 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.475 0.71 . . . . 0.0 112.436 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -72.52 -22.88 60.97 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.662 0.785 . . . . 0.0 110.679 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 82.3 mt -96.13 -48.18 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.012 0.925 . . . . 0.0 109.494 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -71.29 3.03 3.99 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.26 67.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.701 0.8 . . . . 0.0 112.269 169.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.39 29.62 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.304 -0.72 . . . . 0.0 114.681 169.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.54 178.91 9.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.376 1.088 . . . . 0.0 111.859 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.36 -0.13 3.66 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.329 0.651 . . . . 0.0 112.036 170.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.94 131.48 16.82 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 123.881 0.872 . . . . 0.0 110.079 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -63.79 179.92 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.285 2.656 . . . . 0.0 113.856 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.203 1.001 . . . . 0.0 112.819 -173.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.5 150.91 20.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.881 -0.512 . . . . 0.0 111.55 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.36 124.84 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.44 152.04 29.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.458 1.503 . . . . 0.0 109.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 106.78 12.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 54.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.092 1.357 . . . . 0.0 110.002 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.11 165.13 13.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.33 0.968 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.54 136.1 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.294 -169.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.89 76.7 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.297 0.951 . . . . 0.0 114.109 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.69 172.16 7.88 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.628 1.214 . . . . 0.0 111.693 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -134.57 157.31 46.89 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 54.1 mt -136.41 154.74 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 126.256 1.822 . . . . 0.0 108.735 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.21 148.02 51.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.802 0.841 . . . . 0.0 111.828 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -135.14 140.21 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.386 1.074 . . . . 0.0 109.193 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.38 -138.01 49.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.82 9.88 11.46 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.927 0.891 . . . . 0.0 111.706 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.82 -14.86 1.05 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.6 138.96 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.328 0.967 . . . . 0.0 110.706 -172.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -128.63 141.01 51.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.031 0.933 . . . . 0.0 110.53 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -120.34 140.53 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.669 1.588 . . . . 0.0 108.203 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -133.8 128.45 34.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.039 0.536 . . . . 0.0 109.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.13 106.2 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 169.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.29 -28.62 42.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.426 0.69 . . . . 0.0 110.897 -173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.84 -172.16 35.6 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.318 0.485 . . . . 0.0 112.871 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.01 149.3 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.365 0.666 . . . . 0.0 111.194 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -139.24 89.91 2.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.774 1.23 . . . . 0.0 108.534 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.85 -124.49 34.33 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -172.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -79.14 -18.36 53.3 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.08 143.88 33.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.375 0.607 . . . . 0.0 110.36 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 76.0 t -131.73 121.01 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm105 -91.61 124.7 35.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.957 0.903 . . . . 0.0 109.026 -172.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.68 146.41 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.697 0.799 . . . . 0.0 110.527 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.81 143.69 15.93 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.953 0.787 . . . . 0.0 111.455 172.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.62 129.63 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 109.651 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -124.53 109.39 13.17 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 157.2 74.73 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 123.739 0.816 . . . . 0.0 111.328 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.52 161.87 36.47 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.064 2.509 . . . . 0.0 112.369 172.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.32 -4.31 10.45 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.416 0.686 . . . . 0.0 112.749 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -24.4 66.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.338 1.455 . . . . 0.0 112.333 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -124.0 164.3 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.928 0.891 . . . . 0.0 111.268 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.19 15.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.305 0.642 . . . . 0.0 111.226 169.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.06 125.5 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.051 0.54 . . . . 0.0 110.406 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -154.1 171.6 18.85 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 110.944 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -82.16 161.92 22.62 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.102 -0.374 . . . . 0.0 109.999 167.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -18.69 65.51 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -170.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.97 -41.6 87.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.54 0.736 . . . . 0.0 111.231 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -88.72 -36.11 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.778 0.831 . . . . 0.0 109.924 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.24 -30.5 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.589 0.756 . . . . 0.0 112.629 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.88 -21.72 61.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.76 1.224 . . . . 0.0 112.946 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.94 -51.05 11.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.283 0.633 . . . . 0.0 111.551 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.32 -63.0 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 127.055 2.142 . . . . 0.0 113.773 -168.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -0.56 25.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.727 0.811 . . . . 0.0 113.185 -172.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.08 -19.91 60.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.922 -0.486 . . . . 0.0 111.892 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.09 37.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.524 -0.598 . . . . 0.0 113.37 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' F' ' 57' ' ' ALA . 27.8 mt -120.84 -163.02 0.99 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.447 1.099 . . . . 0.0 109.686 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 28.2 p 60.64 -4.6 0.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 127.07 2.148 . . . . 0.0 114.648 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' F' ' 55' ' ' LEU . . . -141.72 88.59 9.51 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 124.877 1.271 . . . . 0.0 109.833 170.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -65.01 -176.53 0.47 Allowed 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.516 2.811 . . . . 0.0 112.508 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.216 0 C-N-CA 124.146 0.978 . . . . 0.0 112.469 173.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 O4'-C1'-N19 111.604 3.404 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.507 3.307 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 112.203 4.003 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 C5'-C4'-O4' 114.113 3.509 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 C5'-C4'-C3' 109.278 -4.148 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 0 C4'-C3'-C2' 98.781 -3.919 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 1 C5'-C4'-C3' 108.624 -4.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C3'-C2'-C1' 103.873 2.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.369 0 P-O3'-C3' 122.145 2.038 . 0.014 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 C5'-C4'-C3' 110.262 -3.492 . 0.14 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.26 3.06 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.413 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 C5'-C4'-C3' 112.05 -2.3 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 C5'-C4'-C3' 108.506 -4.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C4'-C3'-C2' 100.497 -2.203 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 111.841 3.641 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O4'-C1'-N19 110.864 2.664 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 112.593 4.393 . 0.521 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.451 3.251 . 0.733 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 O4'-C1'-N19 113.419 5.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.568 4.368 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 1 O4'-C1'-N19 112.461 4.261 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C5'-C4'-O4' 113.299 2.928 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 O4'-C1'-N19 112.545 4.345 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.065 3.865 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 N19-C1'-C2' 108.626 -2.984 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C4'-C3'-C2' 98.713 -3.987 . 0.551 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.457 ' N3 ' " H2'" ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 C5'-C4'-C3' 106.17 -6.22 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.583 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 111.323 -2.785 . 0.204 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 C5'-C4'-C3' 111.432 -2.712 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 0 O4'-C1'-N19 111.023 2.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C4'-C3'-C2' 100.401 -2.299 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.163 2.963 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.413 4.213 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C4'-C3'-C2' 99.224 -3.476 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.491 -3.209 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 1 O4'-C1'-N19 112.248 4.048 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 O4'-C1'-N19 113.031 4.831 . 0.06 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.469 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 111.596 -2.603 . 0.302 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.469 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.13 2.922 . 0.089 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 1 O4'-C1'-N19 112.66 4.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 1 C5'-C4'-C3' 108.846 -4.436 . 0.039 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 1 O4'-C1'-N19 112.362 4.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 110.618 -3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 111.717 3.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 O4'-C1'-N19 112.284 4.084 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.308 3.108 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 0 O4'-C1'-N19 111.609 3.409 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.477 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 C3'-C2'-C1' 105.453 4.392 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.477 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 99.835 -2.865 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.269 3.069 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C5'-C4'-C3' 111.21 -2.86 . 0.443 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O5'-C5'-C4' 117.383 5.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 C5'-C4'-C3' 112.378 -2.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.241 4.041 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C4'-C3'-C2' 100.286 -2.414 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 110.687 2.487 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 110.307 -3.462 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 O4'-C4'-C3' 108.139 1.885 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.898 3.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 O4'-C1'-N19 111.587 3.387 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 0 O4'-C1'-N19 111.464 3.264 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C3'-C2'-C1' 104.369 3.187 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.405 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 C5'-C4'-C3' 109.471 -4.019 . 0.297 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.405 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C4'-C3'-C2' 100.114 -2.586 . 0.094 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 110.819 2.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 0 C5'-C4'-C3' 111.373 -2.751 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 2 C5'-C4'-C3' 105.958 -6.361 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 1 P-O3'-C3' 125.659 4.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.682 2.482 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 112.065 3.865 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.408 3.208 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 O4'-C1'-N19 113.056 4.856 . 0.351 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 108.63 21.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.579 0.751 . . . . 0.0 109.493 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.76 135.23 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.629 0.772 . . . . 0.0 109.204 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -133.36 159.17 41.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.59 1.156 . . . . 0.0 109.652 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.5 m -122.74 100.96 7.18 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -95.94 166.65 11.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.922 0.489 . . . . 0.0 110.365 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -129.1 157.0 42.99 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.66 121.25 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.939 0.495 . . . . 0.0 110.945 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.91 -4.84 57.76 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.755 1.169 . . . . 0.0 114.647 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -92.75 165.57 12.88 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.909 1.354 . . . . 0.0 112.034 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -137.31 149.39 47.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -169.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 24.8 mm -113.2 153.79 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 125.848 1.659 . . . . 0.0 109.548 169.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -125.69 138.11 53.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.559 1.144 . . . . 0.0 109.831 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -132.9 131.57 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.134 0.973 . . . . 0.0 109.532 -171.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.05 -127.03 27.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.0 0.76 5.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.704 0.802 . . . . 0.0 112.353 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -135.05 -21.27 1.65 Allowed 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 mt -102.28 138.89 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.407 0.683 . . . . 0.0 110.36 -170.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -135.25 145.28 47.44 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.774 0.829 . . . . 0.0 109.663 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.87 141.09 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.822 1.249 . . . . 0.0 108.334 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -139.53 135.96 34.0 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.498 0.59 . . . . 0.0 110.316 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -85.22 99.82 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -25.15 58.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.723 -0.611 . . . . 0.0 110.719 -175.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.22 42.36 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 118.148 0.431 . . . . 0.0 113.853 169.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -130.58 155.23 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.044 0.938 . . . . 0.0 111.685 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -141.6 65.71 1.37 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.893 1.277 . . . . 0.0 109.996 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.22 -119.98 5.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -80.82 -4.41 54.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.194 0.598 . . . . 0.0 111.786 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -99.22 159.93 14.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.88 0.848 . . . . 0.0 112.745 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.78 128.36 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.0 1.72 . . . . 0.0 108.441 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -104.67 101.96 11.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.068 0.947 . . . . 0.0 110.397 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -108.2 130.48 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.184 1.394 . . . . 0.0 109.386 -174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.39 141.27 15.24 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.709 0.671 . . . . 0.0 111.599 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 mt -120.99 131.23 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.317 1.447 . . . . 0.0 108.025 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.23 74.99 1.27 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.23 1.014 . . . . 0.0 109.261 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.79 153.45 39.29 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.837 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.67 154.22 59.54 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.505 2.136 . . . . 0.0 110.509 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -68.11 -5.97 20.55 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -67.36 -25.6 66.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.984 0.914 . . . . 0.0 112.146 169.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -117.24 144.04 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.013 0.911 . . . . 0.0 111.909 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.84 143.07 44.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.392 1.077 . . . . 0.0 111.46 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.15 120.16 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.033 0.533 . . . . 0.0 109.699 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -148.66 -175.92 5.12 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.847 0.859 . . . . 0.0 110.699 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -124.89 170.1 11.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 170.349 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -59.7 -39.49 84.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -71.36 -6.53 40.8 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.91 -28.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 110.869 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -64.11 -31.91 73.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -74.4 -15.31 60.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.791 0.837 . . . . 0.0 111.671 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -77.9 -33.23 51.98 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.044 0.938 . . . . 0.0 111.083 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -64.19 -53.28 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.75 0.82 . . . . 0.0 109.019 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -84.08 5.08 27.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.822 0.849 . . . . 0.0 112.269 -173.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -28.69 67.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.996 0.518 . . . . 0.0 110.957 168.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.82 10.05 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.16 -0.8 . . . . 0.0 113.637 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.54 90.66 8.03 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.848 1.324 . . . . 0.0 108.554 -172.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 p 174.97 -40.79 0.01 OUTLIER 'General case' 0 C--O 1.231 0.095 0 C-N-CA 126.773 2.029 . . . . 0.0 108.125 -169.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.92 158.99 30.67 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 125.54 1.536 . . . . 0.0 111.707 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -73.88 163.56 36.72 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.488 2.792 . . . . 0.0 112.558 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 N--CA 1.452 -0.366 0 C-N-CA 124.958 1.303 . . . . 0.0 111.744 177.344 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.18 121.98 41.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 107.133 169.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.68 139.83 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.903 0.481 . . . . 0.0 111.675 -165.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.07 140.33 46.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.578 1.151 . . . . 0.0 110.587 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -116.82 102.94 9.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -128.23 159.19 36.0 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.216 1.006 . . . . 0.0 110.828 -169.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -91.88 165.93 12.99 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.82 135.96 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.238 0.542 . . . . 0.0 110.819 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.06 78.73 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.138 -0.812 . . . . 0.0 114.42 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.77 158.16 25.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 119.104 1.452 . . . . 0.0 112.232 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -125.7 144.75 50.47 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.422 1.089 . . . . 0.0 111.37 -173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 14.1 mt -136.7 153.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.51 1.524 . . . . 0.0 109.57 -169.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -137.31 140.56 41.61 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.696 -0.628 . . . . 0.0 112.378 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.72 132.43 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 124.169 0.988 . . . . 0.0 109.802 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.74 -139.41 48.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -119.05 0.83 11.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.35 -20.32 9.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.542 0.737 . . . . 0.0 112.962 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.1 135.08 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-O 121.685 0.755 . . . . 0.0 110.952 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -130.66 149.19 52.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.76 1.224 . . . . 0.0 109.652 170.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -128.86 141.91 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.98 1.712 . . . . 0.0 108.014 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.41 127.93 32.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.76 0.424 . . . . 0.0 109.994 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -81.92 105.95 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.4 -30.9 57.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.943 -0.473 . . . . 0.0 110.946 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.87 -179.24 35.56 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 113.287 0.075 . . . . 0.0 113.287 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.03 149.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.065 0.546 . . . . 0.0 110.676 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.4 t -132.0 74.76 1.6 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.48 1.112 . . . . 0.0 108.444 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -117.81 4.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -173.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.13 8.9 44.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.909 0.484 . . . . 0.0 110.741 175.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.93 156.7 16.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.149 0.979 . . . . 0.0 110.33 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.01 113.23 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.703 1.201 . . . . 0.0 108.944 -168.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 120.86 29.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.545 1.138 . . . . 0.0 109.649 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.35 131.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.29 1.036 . . . . 0.0 109.967 -169.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.94 138.79 14.23 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.97 132.3 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.912 0.863 . . . . 0.0 109.314 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -131.33 79.68 1.9 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.388 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.13 156.27 72.33 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.744 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -57.84 155.35 33.2 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 121.697 1.598 . . . . 0.0 110.75 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.578 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.8 mmtm -71.7 -0.69 11.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.971 -0.456 . . . . 0.0 112.057 171.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -25.82 67.31 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.158 1.383 . . . . 0.0 112.128 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.6 144.17 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.98 0.912 . . . . 0.0 110.528 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.62 142.49 28.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.511 0.672 . . . . 0.0 111.737 169.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.51 98.2 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.701 -166.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.452 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.5 OUTLIER -147.48 158.33 43.94 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.865 -0.522 . . . . 0.0 111.968 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.3 ptt-85 -63.14 156.51 24.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.855 0.462 . . . . 0.0 111.27 169.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -39.33 73.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -173.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.93 -6.21 26.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.13 -50.93 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.941 0.896 . . . . 0.0 110.027 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -50.74 -36.89 38.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.647 1.179 . . . . 0.0 112.066 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.26 -21.59 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -78.99 -42.12 27.41 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.041 0.837 . . . . 0.0 110.3 169.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -38.89 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -81.49 5.07 18.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -20.02 39.99 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 111.734 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 47.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.596 0 C-N-CA 123.467 0.556 . . . . 0.0 114.209 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.01 -176.4 2.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.614 0.707 . . . . 0.0 112.504 -168.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.5 p -128.13 -177.88 4.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.029 1.332 . . . . 0.0 109.397 167.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 125.27 1.73 Allowed Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 124.217 1.007 . . . . 0.0 111.69 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.14 153.6 12.31 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.979 3.119 . . . . 0.0 113.15 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 169.727 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.3 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 105.9 15.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.426 1.09 . . . . 0.0 108.43 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.75 132.75 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.549 0.74 . . . . 0.0 109.22 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.92 134.95 51.4 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.494 0.718 . . . . 0.0 109.329 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -89.91 140.78 29.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.919 0.488 . . . . 0.0 110.025 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -146.11 124.01 12.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.555 -0.26 . . . . 0.0 110.558 -175.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.464 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.5 tptm -75.51 152.09 37.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.93 136.67 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 O-C-N 121.813 -0.555 . . . . 0.0 111.991 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.69 -4.26 83.58 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.764 1.173 . . . . 0.0 114.25 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -91.11 171.55 9.18 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.229 1.514 . . . . 0.0 111.975 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -128.91 158.12 39.69 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -167.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -139.8 160.04 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 127.907 2.483 . . . . 0.0 108.569 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.55 149.12 52.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.206 1.002 . . . . 0.0 112.475 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.64 143.43 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.811 1.244 . . . . 0.0 109.034 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 -142.34 42.86 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 123.955 0.788 . . . . 0.0 111.847 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -115.95 7.58 14.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.081 0.952 . . . . 0.0 111.285 169.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -131.76 -11.47 3.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -168.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.28 138.99 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.953 0.797 . . . . 0.0 111.231 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.8 m -124.46 138.06 54.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 109.333 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mm -118.16 137.02 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.566 1.146 . . . . 0.0 108.348 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -132.82 127.95 35.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.11 -0.369 . . . . 0.0 110.307 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -82.31 120.21 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -95.2 -38.89 10.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.11 178.76 44.27 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.272 -0.489 . . . . 0.0 113.972 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -114.6 152.32 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 C-N-CA 123.376 0.67 . . . . 0.0 109.92 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -151.51 101.37 2.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.69 -140.78 26.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.77 2.5 37.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.043 0.537 . . . . 0.0 111.509 168.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.43 146.85 25.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.075 0.95 . . . . 0.0 110.392 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 t -131.25 124.72 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm-85 -88.39 114.26 24.84 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.8 132.62 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.675 1.19 . . . . 0.0 109.326 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.29 134.52 11.89 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.986 0.803 . . . . 0.0 111.539 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.27 117.91 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.981 0.913 . . . . 0.0 108.959 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -119.03 92.77 3.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.998 0.519 . . . . 0.0 110.388 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.74 76.57 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 110.247 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.38 152.03 79.26 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.59 2.193 . . . . 0.0 111.125 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.95 -0.94 2.6 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 112.672 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.89 -22.27 66.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.218 1.007 . . . . 0.0 111.283 169.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.74 146.22 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.25 1.02 . . . . 0.0 110.417 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.93 156.57 23.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.441 0.296 . . . . 0.0 111.073 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.15 132.74 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.958 0.503 . . . . 0.0 109.834 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -154.8 167.56 29.84 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.724 0.81 . . . . 0.0 110.914 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 28.6 ptt-85 -88.66 157.48 18.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 166.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -57.8 -35.82 71.34 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -168.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.82 -19.1 63.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.098 0.959 . . . . 0.0 113.561 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.1 mm -96.12 -36.55 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.71 0.804 . . . . 0.0 110.72 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -52.32 -35.91 51.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.489 1.116 . . . . 0.0 112.707 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.76 -27.71 66.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.65 0.78 . . . . 0.0 112.57 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -68.7 -37.03 79.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 111.805 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.79 -19.69 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 O-C-N 122.008 -0.433 . . . . 0.0 109.916 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -94.48 2.04 55.73 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.986 0.914 . . . . 0.0 112.494 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.17 49.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.858 0.863 . . . . 0.0 112.998 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.75 105.14 2.39 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.179 0.895 . . . . 0.0 111.3 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.97 140.34 47.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.1 0.96 . . . . 0.0 110.79 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 47.3 p -123.31 -3.4 8.44 Favored 'General case' 0 C--O 1.231 0.079 0 C-N-CA 124.291 1.037 . . . . 0.0 112.4 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.42 138.45 15.5 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 123.655 0.782 . . . . 0.0 110.389 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -57.62 -36.93 98.41 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.625 2.883 . . . . 0.0 113.923 172.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 123.692 0.797 . . . . 0.0 110.513 -169.21 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.999 0.428 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.65 108.79 14.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.269 1.828 . . . . 0.0 107.347 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -91.92 138.85 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.414 1.086 . . . . 0.0 109.554 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.94 134.99 22.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.093 1.357 . . . . 0.0 109.249 -167.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 134.55 34.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.174 -0.329 . . . . 0.0 110.973 169.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -136.35 133.66 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.377 0.671 . . . . 0.0 110.378 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -79.98 157.06 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.053 0.541 . . . . 0.0 110.763 171.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -61.18 140.08 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 121.282 0.563 . . . . 0.0 111.811 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.83 -4.32 85.28 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.448 1.023 . . . . 0.0 113.96 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -91.54 174.53 7.32 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.03 1.415 . . . . 0.0 112.201 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -129.69 158.49 39.22 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -168.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 25.9 mt -140.3 159.25 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 127.805 2.442 . . . . 0.0 108.886 -175.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -138.51 148.42 44.26 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 112.112 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -134.24 136.36 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.788 1.235 . . . . 0.0 109.07 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -137.17 50.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -124.04 8.35 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.945 0.898 . . . . 0.0 111.744 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -130.1 -11.78 4.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.87 136.23 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.825 0.738 . . . . 0.0 110.656 -172.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -121.38 145.17 48.17 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.269 1.027 . . . . 0.0 109.747 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -125.46 144.52 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.677 1.591 . . . . 0.0 107.779 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -137.71 133.38 34.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.921 -0.487 . . . . 0.0 109.952 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -88.99 93.7 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.6 -28.32 64.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.036 -0.415 . . . . 0.0 110.903 -172.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.2 -176.22 38.61 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.726 -0.273 . . . . 0.0 113.313 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.97 158.31 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.011 0.525 . . . . 0.0 110.839 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.06 77.55 1.53 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.735 0.814 . . . . 0.0 109.449 171.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.44 -115.22 3.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.464 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -96.96 -5.21 38.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.52 0.728 . . . . 0.0 110.44 171.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.24 159.66 29.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.648 0.737 . . . . 0.0 111.874 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.02 124.41 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.161 1.384 . . . . 0.0 108.299 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -82.79 118.79 23.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -120.46 115.18 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.036 0.934 . . . . 0.0 109.178 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.17 141.32 19.85 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.517 1.056 . . . . 0.0 110.603 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.2 mt -134.6 135.24 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.07 89.88 2.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.0 61.81 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.513 1.125 . . . . 0.0 109.455 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.61 149.7 88.68 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.947 1.765 . . . . 0.0 110.486 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -68.51 -1.01 5.73 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.737 -0.602 . . . . 0.0 112.539 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.26 -23.24 66.37 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.895 1.278 . . . . 0.0 111.574 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.37 160.04 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.115 0.966 . . . . 0.0 110.777 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.73 157.1 16.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.271 0.629 . . . . 0.0 112.361 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.78 125.3 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 167.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -147.73 165.19 31.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.343 0.657 . . . . 0.0 111.356 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -63.44 154.52 31.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.341 0.656 . . . . 0.0 109.433 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.98 -36.21 78.85 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 119.025 0.83 . . . . 0.0 111.02 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.9 -25.4 68.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.716 0.806 . . . . 0.0 112.746 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mm -95.5 -39.33 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.555 1.142 . . . . 0.0 111.212 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -46.79 -38.28 9.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.307 1.443 . . . . 0.0 111.728 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.19 -26.12 68.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.732 1.213 . . . . 0.0 113.665 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.26 -47.36 50.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.054 0.843 . . . . 0.0 109.846 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.418 ' HA ' HD11 ' D' ' 55' ' ' LEU . 5.1 mp -62.7 -34.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.705 0.402 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.99 1.74 38.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.04 0.536 . . . . 0.0 111.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.22 -5.85 59.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.397 1.079 . . . . 0.0 112.412 169.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.41 46.73 0.52 Allowed Glycine 0 C--N 1.339 0.723 0 CA-C-N 118.519 0.599 . . . . 0.0 114.266 169.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -163.43 -178.31 5.81 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 117.999 0.899 . . . . 0.0 111.998 -169.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -152.61 104.14 2.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.521 1.128 . . . . 0.0 108.631 166.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.31 89.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 126.766 2.026 . . . . 0.0 114.586 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.44 179.83 0.82 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.035 3.156 . . . . 0.0 113.253 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.886 0.875 . . . . 0.0 112.334 176.445 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.91 104.53 9.91 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 121.497 1.953 . . . . 0.0 110.68 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.09 139.66 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.899 1.28 . . . . 0.0 110.158 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 mt -135.13 164.95 26.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.48 107.17 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 166.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 129.81 56.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.899 1.68 . . . . 0.0 110.05 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.24 165.98 12.33 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.855 1.207 . . . . 0.0 112.743 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 m -59.49 137.1 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.646 -169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.45 83.5 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.064 0.84 . . . . 0.0 114.208 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -97.3 172.14 7.98 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.63 1.215 . . . . 0.0 111.376 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -135.55 158.92 43.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -169.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -137.5 156.96 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.989 2.115 . . . . 0.0 107.843 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -132.01 152.98 50.82 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.272 -0.893 . . . . 0.0 113.047 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.18 136.99 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.374 1.469 . . . . 0.0 109.323 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.49 -137.31 50.28 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -119.15 -4.26 10.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.742 0.817 . . . . 0.0 112.101 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -128.83 -3.24 5.24 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.24 131.25 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.878 0.763 . . . . 0.0 110.685 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -123.3 141.88 51.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.205 1.002 . . . . 0.0 109.387 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -118.69 138.63 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.849 1.259 . . . . 0.0 108.213 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -132.57 129.64 39.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.224 0.61 . . . . 0.0 109.898 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -85.13 103.58 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.53 -29.85 61.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.082 -0.387 . . . . 0.0 111.119 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.15 34.81 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 122.967 0.318 . . . . 0.0 113.705 170.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.47 154.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.714 0.806 . . . . 0.0 112.159 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -144.05 89.91 2.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.185 1.394 . . . . 0.0 108.697 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.03 -112.91 5.3 Favored Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.809 -0.557 . . . . 0.0 111.778 -175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -89.24 -22.38 22.76 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.559 0.68 . . . . 0.0 111.624 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.11 142.85 43.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.215 0.606 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.4 116.71 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -85.94 123.92 31.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.45 132.6 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.674 0.79 . . . . 0.0 110.06 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.0 139.12 14.24 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.324 0.964 . . . . 0.0 111.374 172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -128.76 108.89 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.104 1.361 . . . . 0.0 108.285 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -106.6 98.97 8.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.83 58.61 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.972 0.909 . . . . 0.0 109.389 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.68 150.99 58.14 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 121.902 1.735 . . . . 0.0 111.3 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -60.92 -8.06 2.87 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.443 1.097 . . . . 0.0 112.795 172.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.85 -28.03 69.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.73 2.012 . . . . 0.0 111.909 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.73 155.13 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.26 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.5 151.06 22.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 122.183 -0.323 . . . . 0.0 111.848 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.06 128.22 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.143 0.577 . . . . 0.0 110.338 169.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -150.44 172.77 14.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.976 0.91 . . . . 0.0 110.754 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -69.46 161.4 29.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.94 -29.4 70.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 122.164 -0.335 . . . . 0.0 111.64 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.45 -54.58 45.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.812 . . . . 0.0 110.99 170.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 mm -74.06 -34.16 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.451 0.7 . . . . 0.0 110.084 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -51.85 -36.63 48.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.914 1.286 . . . . 0.0 112.82 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.9 -21.93 61.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.891 0.876 . . . . 0.0 112.553 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.11 -48.6 42.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.585 0.63 . . . . 0.0 109.498 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.56 -24.33 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.984 0.914 . . . . 0.0 110.805 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.39 -55.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.19 -6.7 15.47 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -166.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.78 60.81 0.33 Allowed Glycine 0 CA--C 1.522 0.501 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -171.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.525 HD22 ' H ' ' E' ' 55' ' ' LEU . 0.4 OUTLIER -50.9 146.44 6.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.083 1.753 . . . . 0.0 114.074 -164.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 42.4 p -92.02 -6.77 50.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.786 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.67 135.82 27.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.258 1.023 . . . . 0.0 110.038 170.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -63.55 177.34 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.205 2.604 . . . . 0.0 113.77 172.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 124.437 1.095 . . . . 0.0 112.592 178.551 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.0 145.87 29.52 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.773 0.429 . . . . 0.0 111.062 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.05 135.59 63.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.92 165.0 24.88 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.852 1.261 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 100.66 6.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 168.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.02 130.57 53.2 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.465 1.506 . . . . 0.0 110.384 -174.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.65 165.01 12.73 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.613 1.097 . . . . 0.0 112.8 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -58.81 136.96 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.578 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 -5.74 82.06 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.26 0.933 . . . . 0.0 114.065 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -95.07 169.57 10.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.623 1.212 . . . . 0.0 111.395 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 55.8 m -135.47 159.93 40.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -139.95 158.87 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.849 2.059 . . . . 0.0 107.954 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -136.87 151.37 49.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.469 -0.769 . . . . 0.0 112.596 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.04 140.89 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.725 1.21 . . . . 0.0 109.241 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.11 -133.36 48.94 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.37 10.12 7.32 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.18 0.992 . . . . 0.0 111.837 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.32 -16.29 1.22 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -104.43 136.5 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.04 0.836 . . . . 0.0 110.553 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -127.6 142.94 51.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.349 1.06 . . . . 0.0 110.31 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.69 140.45 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.492 1.517 . . . . 0.0 108.264 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -134.73 130.11 35.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.986 0.515 . . . . 0.0 109.815 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -82.26 110.25 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.19 -27.71 29.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.26 -175.01 33.35 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.401 0.524 . . . . 0.0 113.4 169.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.04 152.37 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.557 0.743 . . . . 0.0 111.897 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -141.86 89.98 2.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.163 1.385 . . . . 0.0 108.634 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.36 -110.86 3.75 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.06 -22.83 20.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.565 0.682 . . . . 0.0 111.822 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -73.84 141.9 46.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.053 0.541 . . . . 0.0 109.864 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.67 116.51 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -86.02 125.45 33.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.73 138.75 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.025 0.93 . . . . 0.0 109.793 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.38 143.33 16.86 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 mt -130.82 132.83 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.654 1.181 . . . . 0.0 109.438 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -127.62 112.08 14.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.01 0.924 . . . . 0.0 109.048 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.72 157.89 75.27 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.635 0.774 . . . . 0.0 111.325 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.26 160.7 40.99 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.935 2.423 . . . . 0.0 112.171 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -64.4 -12.24 41.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.61 -15.29 61.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.807 1.243 . . . . 0.0 112.473 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.11 163.49 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.839 0.856 . . . . 0.0 111.062 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.02 161.41 14.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.155 0.582 . . . . 0.0 111.409 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.02 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.296 0.638 . . . . 0.0 110.192 170.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -154.99 169.09 24.89 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.922 0.889 . . . . 0.0 110.528 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -75.15 162.46 28.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.948 -0.47 . . . . 0.0 109.775 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -22.69 65.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -172.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.48 -43.14 97.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.82 0.848 . . . . 0.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -86.75 -37.17 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.18 0.592 . . . . 0.0 109.746 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -51.23 -30.45 17.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.52 0.728 . . . . 0.0 112.609 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.22 -21.84 49.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.927 1.291 . . . . 0.0 113.053 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -82.19 -49.24 10.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.174 0.99 . . . . 0.0 111.426 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -49.49 -46.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 128.435 2.694 . . . . 0.0 115.757 -167.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . 0.478 ' NE2' ' H ' ' F' ' 52' ' ' GLN . 0.1 OUTLIER -85.48 -34.47 21.6 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 174.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.12 -34.57 14.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -165.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.71 -14.89 0.06 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 115.212 0.845 . . . . 0.0 115.212 -167.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.36 170.15 0.26 Allowed 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.654 1.982 . . . . 0.0 113.167 169.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 42.9 p -115.89 148.26 40.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.842 0.857 . . . . 0.0 110.929 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.83 70.77 1.71 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.199 1.4 . . . . 0.0 113.073 -171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.98 -43.97 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.954 3.103 . . . . 0.0 113.952 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.795 0.838 . . . . 0.0 110.266 -168.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C5'-C4'-C3' 110.91 -3.06 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.5 -3.2 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 O4'-C1'-N19 112.539 4.339 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-O4' 114.148 3.534 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C3'-C2'-C1' 104.87 3.745 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 1 C5'-C4'-C3' 108.484 -4.677 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 110.249 -3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C5'-C4'-C3' 110.56 -3.293 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O5'-C5'-C4' 113.544 2.389 . 0.016 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 1 C3'-C2'-C1' 105.133 4.036 . 0.187 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.955 3.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-C3' 111.807 -2.462 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 C5'-C4'-C3' 110.396 -3.403 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 99.78 -2.92 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.606 3.406 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 110.723 2.523 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 O4'-C1'-N19 113.292 5.092 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.283 3.083 . 0.55 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 2 O4'-C1'-N19 112.664 4.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.257 4.057 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.341 4.141 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C5'-C4'-O4' 112.971 2.694 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.757 4.557 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 111.93 3.73 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.787 -3.809 . 0.46 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 111.189 2.989 . 0.284 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C5'-C4'-C3' 111.682 -2.545 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.578 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.375 0 C5'-C4'-C3' 112.448 -2.035 . 0.062 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C5'-C4'-C3' 111.469 -2.688 OUTLIER-DELTA 0.017 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.502 3.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.564 -3.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 O4'-C1'-N19 111.13 2.93 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 1 O4'-C1'-N19 112.381 4.181 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 99.174 -3.526 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 99.474 -3.226 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 112.0 3.8 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C4'-C3'-C2' 99.33 -3.37 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.467 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C4'-C3'-C2' 100.74 -1.96 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.467 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 103.417 2.13 . 0.226 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 2 O4'-C1'-N19 114.579 6.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 C5'-C4'-C3' 109.744 -3.837 . 0.065 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 1 O4'-C1'-N19 112.334 4.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.499 3.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 O4'-C1'-N19 112.264 4.064 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.54 4.34 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 C4'-C3'-C2' 99.797 -2.903 . 0.394 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 1 O4'-C1'-N19 112.266 4.066 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.473 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 C3'-C2'-C1' 105.03 3.922 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.473 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C3'-C2'-C1' 104.546 3.384 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . 0.403 ' P ' HO2' ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.218 3.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 111.197 -2.868 . 0.406 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 1 O5'-C5'-C4' 116.758 4.684 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 O4'-C1'-N19 110.266 2.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 1 O4'-C1'-N19 112.376 4.176 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C4'-C3'-C2' 100.036 -2.664 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.01 2.81 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C5'-C4'-C3' 111.376 -2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.413 4.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 O4'-C1'-N19 112.271 4.071 . 0.025 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 0 O4'-C1'-N19 111.273 3.073 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.505 3.305 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.752 3.552 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.49 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.464 3.293 . 0.344 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.49 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 C4'-C3'-C2' 99.472 -3.228 . 0.085 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 O4'-C4'-C3' 108.766 2.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.434 0 C5'-C4'-C3' 111.547 -2.635 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 2 C5'-C4'-C3' 105.689 -6.54 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 P-O3'-C3' 125.659 4.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C4'-C3'-C2' 99.971 -2.729 . 0.895 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 112.179 3.979 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 111.494 3.294 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O4'-C1'-N19 112.717 4.517 . 0.183 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 112.2 24.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.285 0.948 . . . . 0.0 110.047 -173.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.16 137.46 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.261 1.024 . . . . 0.0 109.104 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -132.83 151.78 51.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.885 0.874 . . . . 0.0 109.682 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -111.84 100.95 9.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.86 140.97 41.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.473 0.709 . . . . 0.0 110.343 -169.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -106.22 155.37 19.54 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -49.62 125.05 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.296 0.638 . . . . 0.0 110.777 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.52 63.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.367 0.984 . . . . 0.0 114.445 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -99.27 168.52 9.97 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.7 1.25 . . . . 0.0 111.651 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -135.22 150.03 50.01 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 9.9 mm -108.41 155.99 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.641 1.576 . . . . 0.0 109.547 168.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -127.38 138.54 53.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.44 1.096 . . . . 0.0 110.202 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -133.76 131.0 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 0.0 109.579 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.92 -126.99 24.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -130.03 2.08 4.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.654 0.782 . . . . 0.0 112.365 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -135.55 -22.65 1.47 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mt -101.12 140.14 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.428 0.691 . . . . 0.0 110.33 -172.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -137.13 145.21 43.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.802 0.841 . . . . 0.0 109.154 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.85 141.65 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.49 1.116 . . . . 0.0 108.193 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -137.82 133.55 34.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.516 0.598 . . . . 0.0 110.178 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.88 101.99 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 169.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.89 -26.71 57.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.901 -0.499 . . . . 0.0 110.387 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.37 39.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 167.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.45 145.55 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.466 1.107 . . . . 0.0 111.257 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -138.29 63.88 1.52 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.948 1.299 . . . . 0.0 110.175 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.21 -122.43 6.5 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -173.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.97 -7.87 59.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.267 0.627 . . . . 0.0 112.37 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -106.63 154.33 21.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.863 0.865 . . . . 0.0 112.482 172.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -136.86 123.44 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.494 1.518 . . . . 0.0 110.168 -168.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -87.41 101.97 14.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.639 1.176 . . . . 0.0 112.108 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.28 134.63 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.275 1.43 . . . . 0.0 109.213 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.01 139.75 15.36 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.079 0.847 . . . . 0.0 111.685 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.0 mt -113.6 134.47 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.287 1.435 . . . . 0.0 108.356 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -124.56 74.99 1.37 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.175 0.99 . . . . 0.0 109.351 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.86 40.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.804 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.3 155.06 56.33 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.447 2.098 . . . . 0.0 110.499 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -68.23 -1.47 6.23 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.16 -30.97 71.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.965 0.906 . . . . 0.0 111.487 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.95 144.05 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 123.743 0.817 . . . . 0.0 111.324 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.76 143.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.928 0.891 . . . . 0.0 110.855 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.69 128.71 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 118.117 0.417 . . . . 0.0 110.648 173.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -153.54 -176.0 5.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.596 1.159 . . . . 0.0 109.933 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 169.7 12.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.41 -39.24 82.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -168.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.08 -7.14 44.44 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.11 -28.74 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.784 1.234 . . . . 0.0 110.701 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -65.94 -30.97 71.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.342 -0.849 . . . . 0.0 110.646 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -73.71 -18.94 60.94 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.729 0.811 . . . . 0.0 111.523 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -31.25 56.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.136 0.975 . . . . 0.0 111.244 170.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.5 mt -69.23 -54.76 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.669 0.788 . . . . 0.0 109.439 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -77.66 5.03 10.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.747 0.819 . . . . 0.0 111.641 -173.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.53 66.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.33 0.652 . . . . 0.0 112.249 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.9 15.08 1.07 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 123.774 0.702 . . . . 0.0 113.32 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -123.62 175.99 6.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.721 1.208 . . . . 0.0 111.261 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.3 p -137.6 -20.37 1.18 Allowed 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 155.35 48.12 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.383 1.073 . . . . 0.0 111.041 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.62 161.79 44.2 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.303 2.669 . . . . 0.0 111.939 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.78 175.42 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.437 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 37.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.09 118.7 35.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.993 1.317 . . . . 0.0 107.68 169.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.401 HD11 " H5'" ' G' ' 52' ' ' ' A' . 56.6 mt -116.08 137.44 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.938 0.495 . . . . 0.0 112.072 -165.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.99 137.68 41.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.038 1.335 . . . . 0.0 110.694 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -116.35 101.02 8.3 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -128.57 153.41 47.25 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.107 0.963 . . . . 0.0 112.125 -168.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -82.34 155.44 24.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.177 0.991 . . . . 0.0 110.418 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.64 134.7 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 121.058 0.456 . . . . 0.0 110.53 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.72 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.698 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.01 156.65 21.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.094 1.447 . . . . 0.0 112.531 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -121.4 146.58 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.401 1.08 . . . . 0.0 111.497 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.9 mt -136.82 153.41 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.6 1.56 . . . . 0.0 109.106 -169.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.35 143.6 42.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 O-C-N 121.56 -0.713 . . . . 0.0 112.772 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.28 130.67 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.51 1.124 . . . . 0.0 109.834 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -137.78 49.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 -1.13 10.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.635 0.774 . . . . 0.0 112.288 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.59 -20.56 10.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.516 0.726 . . . . 0.0 112.921 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.74 135.02 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -130.8 149.41 52.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 109.807 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -128.98 147.48 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 126.262 1.825 . . . . 0.0 107.903 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -141.69 130.95 23.51 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.001 -0.437 . . . . 0.0 110.231 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.26 104.72 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.56 -29.87 52.38 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.982 -0.449 . . . . 0.0 110.668 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.35 -178.86 35.31 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 122.681 0.181 . . . . 0.0 113.15 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.44 152.62 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.088 0.555 . . . . 0.0 110.808 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -135.32 78.59 1.74 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.745 1.218 . . . . 0.0 108.911 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.48 -117.2 4.46 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.43 7.36 42.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.229 0.612 . . . . 0.0 111.037 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -98.94 154.21 18.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.088 0.955 . . . . 0.0 110.304 170.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -141.32 115.66 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.149 0.58 . . . . 0.0 109.485 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -82.16 117.66 22.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.115 0.966 . . . . 0.0 109.466 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.42 131.59 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 109.956 -172.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.62 143.29 16.43 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 123.439 0.543 . . . . 0.0 112.02 172.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.46 129.78 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.04 0.936 . . . . 0.0 109.269 173.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -132.15 74.99 1.61 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.261 -168.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.53 157.75 45.03 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.344 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -59.68 156.61 36.43 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.697 1.598 . . . . 0.0 110.179 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -0.93 18.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.72 0.771 . . . . 0.0 111.178 176.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.84 -23.1 66.6 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.837 1.655 . . . . 0.0 111.755 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.25 144.12 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.271 1.029 . . . . 0.0 109.985 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.421 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.21 142.26 29.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.601 0.715 . . . . 0.0 111.661 170.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.407 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 11.3 t -142.65 96.14 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.79 -166.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.421 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -146.64 159.15 43.81 Favored 'General case' 0 N--CA 1.457 -0.087 0 O-C-N 121.938 -0.476 . . . . 0.0 111.912 178.172 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.0 ptt-85 -67.78 159.94 29.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.98 0.512 . . . . 0.0 111.924 171.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -56.87 -40.28 75.89 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.274 0.63 . . . . 0.0 112.488 -171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.75 -11.88 59.35 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.16 -50.55 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 110.204 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -50.51 -37.05 36.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.794 1.238 . . . . 0.0 111.977 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.11 -21.73 62.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.0 -41.07 29.87 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.317 0.962 . . . . 0.0 110.091 169.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.2 -39.73 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.23 4.9 18.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.3 46.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.178 0.591 . . . . 0.0 111.455 168.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.3 48.45 0.09 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 123.558 0.599 . . . . 0.0 113.883 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.0 -176.37 2.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 117.677 0.738 . . . . 0.0 112.55 -168.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -128.67 -178.35 4.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.232 1.413 . . . . 0.0 109.575 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.87 121.16 2.32 Favored Pre-proline 0 N--CA 1.454 -0.255 0 C-N-CA 124.102 0.961 . . . . 0.0 111.325 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -57.03 137.61 82.68 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.041 2.494 . . . . 0.0 113.204 -169.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.455 -0.213 0 C-N-CA 125.231 1.412 . . . . 0.0 113.397 172.74 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 110.57 20.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 165.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.2 134.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.128 0.971 . . . . 0.0 109.795 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.83 134.99 48.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.084 0.953 . . . . 0.0 109.554 169.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 62.9 p -92.98 140.74 29.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.782 0.433 . . . . 0.0 110.917 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -139.25 132.04 29.14 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.662 0.785 . . . . 0.0 110.348 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -75.94 153.55 36.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 168.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.78 135.32 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 121.257 -0.902 . . . . 0.0 111.735 -174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -4.09 81.7 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.714 1.15 . . . . 0.0 114.237 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -85.94 174.37 9.3 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.33 1.565 . . . . 0.0 112.578 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -133.86 157.58 45.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -167.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -141.23 153.38 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 128.046 2.538 . . . . 0.0 108.049 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -131.14 147.67 52.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.29 -0.882 . . . . 0.0 111.975 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -133.9 136.95 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.698 1.199 . . . . 0.0 108.869 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -141.09 42.14 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 123.614 0.626 . . . . 0.0 111.717 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -116.87 7.08 13.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.997 0.919 . . . . 0.0 111.421 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.28 -12.39 5.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.085 0.954 . . . . 0.0 113.306 -169.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.85 138.68 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 118.714 0.688 . . . . 0.0 110.969 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -127.41 138.94 53.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.678 1.191 . . . . 0.0 109.347 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -122.06 142.36 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.693 1.197 . . . . 0.0 108.39 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.08 130.0 28.47 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.852 -0.53 . . . . 0.0 110.787 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.35 117.15 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.404 HD12 " H1'" ' G' ' 67' ' ' ' C' . 8.2 mt -90.0 -37.73 14.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.04 -0.412 . . . . 0.0 109.907 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.67 -177.88 43.54 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.537 -0.363 . . . . 0.0 113.686 169.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.88 154.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.485 0.714 . . . . 0.0 110.357 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.0 p -148.37 100.18 3.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.091 0.956 . . . . 0.0 109.016 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.72 -126.0 20.67 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.31 1.41 54.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.824 0.85 . . . . 0.0 112.036 173.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -87.88 155.51 19.83 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.514 0.726 . . . . 0.0 110.715 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.9 120.01 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.453 1.101 . . . . 0.0 108.546 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -81.24 113.28 19.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -118.19 130.11 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.789 1.236 . . . . 0.0 109.5 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.93 15.32 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.049 0.833 . . . . 0.0 111.915 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.2 mt -127.01 116.75 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 124.907 1.283 . . . . 0.0 108.783 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -116.06 98.06 6.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.504 0.722 . . . . 0.0 109.768 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.61 78.33 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.433 1.093 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -62.04 152.64 74.2 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.489 2.126 . . . . 0.0 111.161 171.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.65 -1.0 2.36 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.495 0.718 . . . . 0.0 112.523 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.78 -22.77 66.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.453 1.101 . . . . 0.0 111.505 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.19 144.65 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.117 0.967 . . . . 0.0 110.535 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.41 154.8 21.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.704 0.402 . . . . 0.0 110.887 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.41 129.81 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 C-N-CA 122.947 0.499 . . . . 0.0 109.829 173.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -156.25 160.22 39.59 Favored 'General case' 0 CA--C 1.524 -0.047 0 C-N-CA 123.237 0.615 . . . . 0.0 111.631 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -74.82 160.47 30.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 166.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.8 -33.23 72.68 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.277 0.631 . . . . 0.0 112.181 -169.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.31 -42.48 77.69 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 111.761 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -93.44 -30.16 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.542 0.737 . . . . 0.0 110.907 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.27 -36.07 40.43 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.732 0.813 . . . . 0.0 112.263 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -59.75 -31.83 70.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.595 0.758 . . . . 0.0 112.316 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -69.05 -37.48 78.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.41 0.684 . . . . 0.0 111.739 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.04 -20.27 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 O-C-N 122.057 -0.402 . . . . 0.0 110.199 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -96.36 1.73 52.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.993 0.917 . . . . 0.0 112.984 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.4 -1.25 57.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.66 8.24 62.41 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.51 -0.605 . . . . 0.0 112.77 -173.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 59.52 -170.14 0.14 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.638 1.575 . . . . 0.0 112.257 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -86.46 -8.93 57.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 112.47 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.92 131.69 12.53 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.256 1.022 . . . . 0.0 110.241 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.54 -41.42 57.1 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.228 2.619 . . . . 0.0 112.692 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.133 0.973 . . . . 0.0 110.701 -171.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -106.01 118.48 36.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.701 1.2 . . . . 0.0 109.342 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.78 135.26 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.789 1.235 . . . . 0.0 108.906 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.6 134.96 27.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.762 1.225 . . . . 0.0 108.415 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 109.94 20.92 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -170.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.85 130.54 56.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.083 -0.386 . . . . 0.0 111.255 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.78 151.94 45.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.126 0.489 . . . . 0.0 110.576 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -57.85 137.07 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.318 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.06 86.88 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.999 -0.889 . . . . 0.0 114.129 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -94.3 171.46 8.81 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.014 1.407 . . . . 0.0 111.859 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 158.41 38.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -168.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mt -139.06 157.96 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 127.143 2.177 . . . . 0.0 108.414 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -131.91 152.76 50.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.004 0.921 . . . . 0.0 111.573 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.73 134.51 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.077 1.351 . . . . 0.0 109.278 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -137.16 50.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -122.56 7.42 9.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.969 0.908 . . . . 0.0 111.861 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -133.14 -13.3 2.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.38 133.75 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 118.832 0.742 . . . . 0.0 110.638 -172.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 14.5 m -116.17 148.63 40.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.086 0.954 . . . . 0.0 109.847 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -129.64 143.51 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 125.858 1.663 . . . . 0.0 107.807 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -139.09 133.04 31.01 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 121.779 -0.576 . . . . 0.0 110.008 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -88.66 94.53 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.42 -30.59 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.862 -0.524 . . . . 0.0 110.963 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.76 -175.17 39.17 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.7 -0.286 . . . . 0.0 113.437 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 m -108.64 157.49 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.486 0.714 . . . . 0.0 111.003 170.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.6 80.16 1.65 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.376 1.07 . . . . 0.0 109.298 170.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.51 -118.06 4.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.91 -7.12 40.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.398 0.679 . . . . 0.0 110.685 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -79.69 156.63 27.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.141 0.576 . . . . 0.0 110.828 173.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -136.37 124.46 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.012 0.925 . . . . 0.0 108.821 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.45 113.05 18.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.54 121.96 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.728 0.811 . . . . 0.0 109.075 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.54 136.68 12.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.64 142.17 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 108.698 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.437 0.695 . . . . 0.0 109.225 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.24 157.85 52.29 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.648 1.179 . . . . 0.0 109.826 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.88 150.21 89.07 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.009 1.806 . . . . 0.0 110.332 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.36 -1.65 6.83 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.95 -23.52 66.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.91 1.284 . . . . 0.0 111.698 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.4 159.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.219 1.008 . . . . 0.0 111.135 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.41 157.05 16.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.616 0.767 . . . . 0.0 112.707 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -152.79 121.67 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 122.865 0.466 . . . . 0.0 110.224 167.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -147.77 172.2 14.48 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.821 0.849 . . . . 0.0 111.54 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -71.71 157.43 37.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.861 0.464 . . . . 0.0 110.203 168.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.89 -35.43 76.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.281 0.632 . . . . 0.0 111.548 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.92 -28.3 68.18 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.407 0.683 . . . . 0.0 112.66 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.43 -37.05 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.698 1.199 . . . . 0.0 110.621 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.51 -41.66 66.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 110.829 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.16 -26.24 68.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . 0.478 ' HD3' ' C5 ' ' G' ' 7' ' ' ' C' . 5.0 ttt180 -74.62 -38.74 62.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 123.637 0.775 . . . . 0.0 110.974 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.454 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 75.5 mt -74.0 -37.28 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.128 0.489 . . . . 0.0 109.773 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -78.27 2.0 19.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.002 0.921 . . . . 0.0 111.267 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -16.99 57.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.783 0.833 . . . . 0.0 111.974 169.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.36 40.25 0.21 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-O 119.211 -0.772 . . . . 0.0 114.413 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.8 pp -156.71 174.04 16.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.582 1.191 . . . . 0.0 112.502 -169.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -138.42 61.6 1.58 Allowed 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.549 1.14 . . . . 0.0 110.441 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 58.92 101.07 0.04 OUTLIER Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 126.461 1.904 . . . . 0.0 113.376 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.55 175.26 3.62 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.13 2.553 . . . . 0.0 113.462 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 124.314 1.046 . . . . 0.0 112.668 176.334 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.21 119.29 24.92 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.978 1.311 . . . . 0.0 108.23 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.23 137.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.969 0.908 . . . . 0.0 109.581 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -138.53 164.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.236 1.414 . . . . 0.0 111.136 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -133.23 107.02 7.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -119.07 139.57 51.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.086 1.354 . . . . 0.0 110.507 -174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -96.98 169.57 9.74 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 m -60.21 138.22 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.48 84.57 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 124.071 0.844 . . . . 0.0 114.335 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -94.75 169.33 10.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.585 1.193 . . . . 0.0 111.461 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -133.14 156.73 46.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -169.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.38 153.23 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 126.321 1.848 . . . . 0.0 107.905 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.76 150.77 51.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.587 -0.696 . . . . 0.0 112.608 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.72 136.97 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.986 1.315 . . . . 0.0 109.597 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.76 49.31 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -124.36 8.93 8.46 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.802 0.841 . . . . 0.0 111.961 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -136.76 -6.73 1.91 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -170.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.57 132.64 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-N 118.912 0.778 . . . . 0.0 110.639 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.0 m -127.75 142.59 51.27 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 110.157 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -122.07 141.17 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.483 1.513 . . . . 0.0 108.24 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 45.7 m -137.3 128.5 27.86 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.019 0.528 . . . . 0.0 110.023 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.59 109.95 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.9 -31.17 56.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.624 0.37 . . . . 0.0 110.746 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -173.26 34.68 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.24 0.448 . . . . 0.0 113.359 169.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.46 159.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 123.41 0.684 . . . . 0.0 112.413 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.98 91.26 1.76 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.962 1.305 . . . . 0.0 109.066 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.21 -116.45 6.25 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 121.705 -0.622 . . . . 0.0 111.789 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -88.87 -18.97 26.48 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.593 0.697 . . . . 0.0 111.295 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -78.29 146.59 34.72 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.983 0.897 . . . . 0.0 110.73 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -140.99 113.21 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -87.16 123.32 32.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -129.86 134.17 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.43 0.692 . . . . 0.0 110.614 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.58 140.96 15.17 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.275 0.94 . . . . 0.0 111.578 171.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.34 124.31 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.822 1.249 . . . . 0.0 109.033 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -122.98 100.14 6.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.325 0.65 . . . . 0.0 109.654 -172.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.58 71.9 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.206 1.002 . . . . 0.0 110.814 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.65 159.24 41.99 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.161 2.574 . . . . 0.0 112.159 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -72.95 -0.9 14.97 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 171.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.15 -21.85 66.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.307 1.043 . . . . 0.0 111.44 168.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.82 159.42 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.265 1.026 . . . . 0.0 110.69 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.38 157.22 16.0 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.099 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.06 125.91 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.376 0.67 . . . . 0.0 109.702 169.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -147.58 165.99 28.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.872 0.869 . . . . 0.0 110.066 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -66.42 156.68 33.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.25 -19.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.988 -0.445 . . . . 0.0 111.403 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.81 -46.92 88.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.374 1.069 . . . . 0.0 111.477 168.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 mm -83.76 -34.79 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.308 1.043 . . . . 0.0 110.412 -170.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -49.55 -34.76 18.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.946 1.299 . . . . 0.0 113.098 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -59.78 -21.97 61.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.085 0.954 . . . . 0.0 112.381 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -73.32 -50.2 23.4 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.325 0.65 . . . . 0.0 109.498 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.92 -23.14 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 125.344 1.458 . . . . 0.0 110.738 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -85.28 -43.43 13.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 169.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.01 -30.38 10.31 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -166.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.78 -20.64 1.33 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.912 0.768 . . . . 0.0 112.987 -169.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.47 179.68 0.14 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.977 2.511 . . . . 0.0 113.005 169.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 35.5 p -89.49 -6.56 56.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.76 132.11 18.37 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 110.043 173.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -65.86 179.15 1.92 Allowed 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.98 2.453 . . . . 0.0 114.022 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.517 1.127 . . . . 0.0 112.454 179.613 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.796 -0.076 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.9 147.21 23.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.113 -0.367 . . . . 0.0 111.521 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 135.4 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 124.049 0.94 . . . . 0.0 108.495 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -134.62 163.36 29.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.167 0.987 . . . . 0.0 109.259 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -131.59 96.94 4.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 109.453 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . 0.414 ' HD3' HD12 ' F' ' 12' ' ' ILE . 9.1 ttp180 -104.99 162.13 13.62 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.995 1.318 . . . . 0.0 110.603 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -119.46 168.43 10.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 m -54.98 134.91 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.568 -170.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 -9.35 72.21 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.292 0.949 . . . . 0.0 114.643 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.17 175.63 6.87 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.25 1.525 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -141.07 163.98 31.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . 0.414 HD12 ' HD3' ' F' ' 6' ' ' ARG . 20.5 mt -149.88 153.72 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.82 2.448 . . . . 0.0 107.748 -171.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -127.61 152.43 47.66 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.901 0.88 . . . . 0.0 112.462 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.04 141.79 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.512 1.125 . . . . 0.0 109.083 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.44 49.47 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -122.27 9.96 9.87 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 112.017 172.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.74 -14.38 1.23 Allowed 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.95 139.95 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 119.152 0.887 . . . . 0.0 110.827 -172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.4 143.78 51.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.349 1.06 . . . . 0.0 110.229 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -126.64 137.0 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.585 1.554 . . . . 0.0 108.658 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -136.62 129.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.624 0.77 . . . . 0.0 110.411 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.03 109.71 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 173.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 28.7 mt -82.53 -31.97 28.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.021 0.529 . . . . 0.0 110.881 -170.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -174.95 35.88 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.617 0.627 . . . . 0.0 113.083 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.89 153.3 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.426 0.69 . . . . 0.0 112.077 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.11 89.92 2.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.273 1.429 . . . . 0.0 109.031 169.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.42 -106.05 1.69 Allowed Glycine 0 CA--C 1.525 0.697 0 O-C-N 121.814 -0.554 . . . . 0.0 111.962 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.99 -21.94 17.7 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.547 0.673 . . . . 0.0 111.93 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.61 143.22 48.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.22 0.533 . . . . 0.0 110.001 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.53 116.46 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.02 127.73 35.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.2 141.17 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.492 -168.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.01 139.94 15.12 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 124.088 0.851 . . . . 0.0 111.148 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.11 143.13 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.756 1.223 . . . . 0.0 109.202 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -131.41 109.76 10.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.156 0.982 . . . . 0.0 108.978 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.07 157.13 78.37 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.829 0.852 . . . . 0.0 111.484 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.99 162.35 32.92 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.053 2.502 . . . . 0.0 112.192 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.78 -4.86 30.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.453 0.701 . . . . 0.0 112.674 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.79 -20.21 64.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.572 1.149 . . . . 0.0 112.432 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -128.39 164.64 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.896 0.879 . . . . 0.0 110.949 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.24 161.68 13.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.44 0.696 . . . . 0.0 111.209 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.79 124.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.384 0.673 . . . . 0.0 110.411 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -152.65 174.86 13.45 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 110.596 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -72.02 161.88 30.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.01 -28.45 69.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.005 -0.435 . . . . 0.0 112.094 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -42.66 81.27 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.461 1.104 . . . . 0.0 111.944 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.95 -31.54 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 110.639 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -48.99 -35.44 15.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 112.855 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.58 -21.97 54.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.544 1.138 . . . . 0.0 112.645 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -77.36 -47.46 19.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.621 0.769 . . . . 0.0 109.69 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -23.0 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.039 1.336 . . . . 0.0 110.487 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -85.25 -41.26 15.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.94 -31.95 9.0 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -166.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.71 -21.71 1.37 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.948 0.785 . . . . 0.0 112.949 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.48 176.56 0.16 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.138 2.575 . . . . 0.0 113.196 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 36.6 p -90.42 -12.59 37.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.871 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.36 129.4 13.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.014 0.925 . . . . 0.0 109.923 171.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -58.05 159.17 19.1 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.672 2.915 . . . . 0.0 114.155 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 125.536 1.535 . . . . 0.0 113.916 168.698 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.253 3.053 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 99.398 -3.302 . 0.324 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 O4'-C1'-N19 112.289 4.089 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 1 O4'-C1'-N19 112.96 4.76 OUTLIER-EPSILON 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 1 P-O3'-C3' 126.061 5.301 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-O4' 114.675 3.91 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.478 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 112.081 3.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C3'-C2'-C1' 104.141 2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 O5'-C5'-C4' 113.163 2.116 . 0.025 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C5'-C4'-C3' 109.588 -3.942 . 0.116 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.147 2.947 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.434 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C5'-C4'-C3' 112.075 -2.283 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-C3' 111.206 -2.863 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.242 -2.458 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 111.744 3.544 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 110.909 2.709 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.989 3.789 . 0.515 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 N19-C1'-C2' 108.96 -2.775 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 2 O4'-C1'-N19 114.586 6.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.804 4.604 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.481 4.281 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-O4' 113.124 2.803 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.511 4.311 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 112.123 3.923 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 N19-C1'-C2' 109.023 -2.736 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 O4'-C1'-N19 111.438 3.238 . 0.606 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C5'-C4'-C3' 111.552 -2.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.407 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C5'-C4'-C3' 111.509 -2.661 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C5'-C4'-C3' 111.634 -2.577 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O5'-C5'-C4' 106.353 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C4'-C3'-C2' 99.416 -3.284 . 0.05 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O4'-C1'-N19 111.183 2.983 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.351 4.151 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.199 -3.501 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 99.801 -2.899 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 111.907 3.707 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C4'-C3'-C2' 100.221 -2.479 . 0.312 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 C5'-C4'-C3' 109.422 -4.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 C4'-C3'-C2' 100.646 -2.054 . 0.329 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 O4'-C1'-N19 113.457 5.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.469 1 C5'-C4'-C3' 108.755 -4.497 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 112.183 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.699 4.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 O4'-C1'-N19 113.371 5.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 1 O4'-C1'-N19 112.559 4.359 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 110.899 2.699 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.536 3.336 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 1 C3'-C2'-C1' 105.661 4.624 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C4'-C3'-C2' 99.989 -2.711 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.865 3.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 3 O5'-C5'-C4' 116.762 4.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.437 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.412 -3.414 3 O5'-C5'-C4' 117.685 5.346 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 P-O3'-C3' 126.763 5.886 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 1 O4'-C1'-N19 112.339 4.139 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C4'-C3'-C2' 100.06 -2.64 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 111.076 2.876 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 112.158 -2.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.932 -2.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 112.112 3.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 O4'-C1'-N19 111.371 3.171 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.553 3.353 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C3'-C2'-C1' 104.79 3.655 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C5'-C4'-O4' 114.167 3.548 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 P-O3'-C3' 122.461 2.301 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 C3'-C2'-C1' 104.02 2.8 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.392 0 C5'-C4'-C3' 110.237 -3.509 . 0.159 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.404 " H1'" HD12 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.307 2 C3'-C2'-C1' 97.345 -4.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 110.019 -3.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C5'-C4'-C3' 111.598 -2.601 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 O4'-C1'-N19 112.183 3.983 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.216 3.016 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 1 O4'-C1'-N19 113.003 4.803 . 0.276 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.8 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 105.77 17.97 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.505 0.722 . . . . 0.0 109.079 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.29 135.52 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.655 0.782 . . . . 0.0 109.041 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.8 mt -128.88 162.02 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.191 0.996 . . . . 0.0 109.611 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.7 m -124.28 105.76 9.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -95.83 165.91 12.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.385 1.074 . . . . 0.0 108.801 -169.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.28 151.2 51.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -48.31 121.35 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.94 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.88 -7.65 55.37 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.234 1.397 . . . . 0.0 114.663 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -80.22 149.83 30.3 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.932 1.366 . . . . 0.0 112.282 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 m -124.97 142.7 51.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.574 0.75 . . . . 0.0 112.588 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 36.3 mm -122.74 155.47 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.496 1.919 . . . . 0.0 108.514 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -130.16 135.23 47.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.602 1.161 . . . . 0.0 109.422 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.21 133.86 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.778 0.831 . . . . 0.0 109.325 -173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -127.57 33.09 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.01 0.09 5.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.746 0.819 . . . . 0.0 112.53 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -134.18 -14.13 2.35 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.6 mt -108.38 138.9 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.589 0.755 . . . . 0.0 110.463 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -135.56 143.62 45.77 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.164 0.986 . . . . 0.0 109.601 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -127.48 138.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.544 1.138 . . . . 0.0 108.797 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -133.62 137.22 45.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.643 0.777 . . . . 0.0 110.374 -176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -91.11 103.47 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.76 -27.23 50.28 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.876 -0.515 . . . . 0.0 110.495 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.86 -168.61 40.82 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 117.667 0.212 . . . . 0.0 113.61 169.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.83 145.18 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.955 0.902 . . . . 0.0 110.58 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -136.98 65.93 1.49 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.1 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -117.95 6.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -86.95 -5.05 59.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 112.546 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -108.22 153.52 23.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.666 0.746 . . . . 0.0 112.732 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -125.47 131.87 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 126.247 1.819 . . . . 0.0 108.473 -172.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -104.64 102.03 11.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.451 0.7 . . . . 0.0 110.274 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -109.3 137.63 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 109.891 -174.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 140.3 16.02 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.253 0.93 . . . . 0.0 111.702 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.46 138.77 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.321 1.448 . . . . 0.0 108.269 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -126.95 75.53 1.58 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.618 1.167 . . . . 0.0 109.3 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.38 154.1 46.47 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.238 1.415 . . . . 0.0 110.691 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.03 154.08 57.69 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.48 2.12 . . . . 0.0 110.606 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.25 -6.38 18.07 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.75 -25.68 65.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.037 0.935 . . . . 0.0 112.255 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.73 144.0 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.873 0.844 . . . . 0.0 112.033 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.1 36.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.793 1.237 . . . . 0.0 111.567 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -130.21 120.36 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.421 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -148.94 158.79 44.44 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.015 0.526 . . . . 0.0 111.932 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.15 166.11 23.99 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.296 0.638 . . . . 0.0 110.612 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -62.09 -41.27 98.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.566 -0.709 . . . . 0.0 112.472 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -76.95 2.89 13.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.08 -11.18 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.481 1.112 . . . . 0.0 111.184 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -80.07 -40.61 27.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.303 -1.498 . . . . 0.0 110.53 169.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.3 -22.39 61.2 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.824 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -75.59 -35.13 60.63 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.087 0.555 . . . . 0.0 111.614 173.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.14 -49.8 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.552 0.741 . . . . 0.0 109.475 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.97 5.12 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -19.23 65.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 122.216 -0.303 . . . . 0.0 111.476 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 -7.45 4.3 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.529 1.062 . . . . 0.0 113.005 172.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -86.75 90.63 8.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 122.866 1.317 . . . . 0.0 110.929 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -165.82 -31.81 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.244 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.81 152.89 4.76 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.677 1.591 . . . . 0.0 112.089 173.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -66.69 -20.93 52.45 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.277 2.651 . . . . 0.0 112.96 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 122.642 0.377 . . . . 0.0 111.836 -170.324 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.5 120.86 41.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.377 1.471 . . . . 0.0 107.314 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.6 mt -119.06 137.31 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -164.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -142.26 150.4 40.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.529 1.132 . . . . 0.0 111.436 -169.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -101.81 134.17 45.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.0 123.83 35.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.498 1.119 . . . . 0.0 109.919 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -73.72 155.99 38.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.129 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -59.6 126.83 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -6.75 61.72 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 118.894 -0.948 . . . . 0.0 115.023 -173.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -88.94 169.65 11.36 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.311 1.556 . . . . 0.0 111.913 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -140.99 158.78 43.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -168.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mm -133.82 154.26 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.344 2.258 . . . . 0.0 108.691 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -133.22 139.5 47.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.555 1.142 . . . . 0.0 110.426 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -131.27 134.39 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.974 0.91 . . . . 0.0 109.879 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -135.58 50.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -122.14 4.93 9.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.815 0.846 . . . . 0.0 112.049 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -125.82 -17.45 5.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.1 138.15 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 118.84 0.745 . . . . 0.0 110.827 -169.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -136.46 149.76 48.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.808 1.243 . . . . 0.0 109.94 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -130.94 143.73 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.877 1.671 . . . . 0.0 108.456 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -141.07 126.1 18.3 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.172 0.589 . . . . 0.0 110.708 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -77.92 117.93 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.76 -32.16 21.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.166 -0.334 . . . . 0.0 110.967 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.43 173.34 31.0 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 122.518 0.104 . . . . 0.0 113.124 171.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.2 153.66 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.129 0.49 . . . . 0.0 110.903 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -137.4 76.17 1.57 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.768 1.227 . . . . 0.0 109.123 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.74 -116.97 4.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.06 9.05 40.64 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.226 0.611 . . . . 0.0 111.401 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.89 152.18 20.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.597 1.159 . . . . 0.0 109.914 169.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.71 111.94 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.434 0.694 . . . . 0.0 110.108 -168.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.0 119.67 27.45 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.508 1.123 . . . . 0.0 110.245 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.42 136.47 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 124.015 0.926 . . . . 0.0 110.619 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.15 142.78 16.19 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 123.325 0.488 . . . . 0.0 112.303 169.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.79 134.0 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.835 0.854 . . . . 0.0 109.56 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -133.08 74.92 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.53 -168.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.59 156.73 51.09 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.085 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' B' ' 39' ' ' ASP . 18.9 Cg_endo -56.77 152.45 42.2 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.648 1.566 . . . . 0.0 110.319 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -65.67 -0.71 2.24 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.437 0.695 . . . . 0.0 111.998 171.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.9 t70 -65.94 -30.96 71.62 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 112.022 172.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -104.96 144.13 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.499 1.12 . . . . 0.0 110.616 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.427 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -84.48 141.76 30.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.469 0.652 . . . . 0.0 111.863 169.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.9 97.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.825 -166.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.427 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -147.5 158.74 44.12 Favored 'General case' 0 C--N 1.337 0.032 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 178.219 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -63.08 155.81 26.73 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.156 0.983 . . . . 0.0 111.903 169.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.04 -43.77 63.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.824 0.85 . . . . 0.0 112.091 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.97 -12.08 52.4 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -98.51 -49.59 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.147 0.979 . . . . 0.0 110.292 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.36 -37.02 34.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.213 1.405 . . . . 0.0 112.181 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -69.81 -23.6 63.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -79.03 -38.48 36.46 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.981 0.81 . . . . 0.0 110.551 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.02 -41.06 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.55 5.13 13.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 -17.92 47.32 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.025 0.53 . . . . 0.0 111.863 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.361 -0.688 . . . . 0.0 114.58 169.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -175.8 2.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.986 0.893 . . . . 0.0 112.865 -168.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.2 p -125.98 176.78 6.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.408 1.483 . . . . 0.0 109.174 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.94 119.1 0.96 Allowed Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.647 1.179 . . . . 0.0 112.008 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -67.53 175.94 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.228 1.952 . . . . 0.0 113.308 -171.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.453 -0.289 0 C-N-CA 123.93 0.892 . . . . 0.0 112.419 173.14 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.87 107.14 16.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 166.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.64 134.35 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 123.861 0.864 . . . . 0.0 109.523 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.08 135.26 47.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.475 1.11 . . . . 0.0 109.668 169.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 34.0 p -94.17 147.14 23.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.21 0.529 . . . . 0.0 110.863 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -137.37 145.08 42.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.537 0.735 . . . . 0.0 110.027 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.489 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.4 tptm -83.32 155.41 23.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 168.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.85 130.82 22.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 118.996 0.816 . . . . 0.0 111.519 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 -4.93 79.26 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.608 1.099 . . . . 0.0 114.095 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.65 170.58 11.69 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.127 1.464 . . . . 0.0 111.895 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -132.96 158.23 43.18 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -167.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.78 159.03 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 127.209 2.204 . . . . 0.0 108.102 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -126.32 143.46 51.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.71 0.804 . . . . 0.0 111.235 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.03 151.49 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' C' ' 17' ' ' ASP . . . 8.23 121.8 0.0 OUTLIER Glycine 0 C--N 1.34 0.805 0 C-N-CA 128.212 2.815 . . . . 0.0 110.438 -174.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -53.62 9.99 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 -155.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' C' ' 15' ' ' GLY . 36.9 m-20 -94.69 -16.04 23.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.795 1.638 . . . . 0.0 111.588 162.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.35 141.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 121.083 1.765 . . . . 0.0 112.795 -171.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -124.88 146.34 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.753 1.221 . . . . 0.0 109.594 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -127.43 145.97 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.333 1.453 . . . . 0.0 108.474 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.97 139.86 38.05 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.966 0.506 . . . . 0.0 110.143 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.18 117.67 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 168.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -87.37 -47.2 8.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.81 -0.556 . . . . 0.0 109.967 -170.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.76 175.5 46.56 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.392 168.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.0 149.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.309 0.644 . . . . 0.0 110.642 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -142.56 97.7 3.16 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.391 1.076 . . . . 0.0 108.444 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.43 -128.49 15.75 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -169.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -93.46 1.55 56.79 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.871 0.868 . . . . 0.0 112.116 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.71 153.05 22.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.648 0.779 . . . . 0.0 110.729 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.77 127.15 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.081 0.952 . . . . 0.0 109.249 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -85.58 117.91 24.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.14 129.87 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.817 1.247 . . . . 0.0 109.259 -172.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.79 140.17 14.92 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.103 1.335 . . . . 0.0 111.848 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.4 mt -133.65 132.82 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -138.05 90.01 2.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.972 0.415 . . . . 0.0 110.498 -172.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.07 156.42 79.21 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.537 1.135 . . . . 0.0 110.26 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.32 151.67 83.73 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.567 2.178 . . . . 0.0 110.946 170.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.02 -0.94 2.65 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.381 0.672 . . . . 0.0 112.671 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.92 -22.0 66.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.404 1.082 . . . . 0.0 111.319 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.14 148.71 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 124.29 1.036 . . . . 0.0 110.643 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.78 157.01 21.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.794 0.438 . . . . 0.0 111.464 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.66 132.56 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 169.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -154.51 165.24 37.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.841 0.856 . . . . 0.0 111.029 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.14 159.11 26.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 166.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.03 -27.08 68.87 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.488 0.586 . . . . 0.0 111.745 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.29 -27.94 66.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.319 0.647 . . . . 0.0 112.713 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.7 -37.06 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.629 0.772 . . . . 0.0 110.489 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -52.2 -36.42 52.0 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.25 1.02 . . . . 0.0 112.53 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.62 -28.71 67.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 112.274 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.34 -38.54 71.64 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.628 0.771 . . . . 0.0 111.983 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.16 -20.96 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -92.28 -1.22 57.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.481 0.712 . . . . 0.0 112.483 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 -22.7 15.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.399 1.08 . . . . 0.0 112.768 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.88 138.24 4.6 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -172.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -111.13 174.5 5.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.951 0.901 . . . . 0.0 110.777 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -84.31 -3.44 58.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.82 139.89 37.0 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 123.982 0.913 . . . . 0.0 110.398 171.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -65.44 175.34 4.28 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.04 2.493 . . . . 0.0 113.063 171.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 123.909 0.884 . . . . 0.0 112.505 178.041 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.9 mmm . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.2 111.08 10.58 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.791 2.036 . . . . 0.0 106.738 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -103.65 139.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.144 0.977 . . . . 0.0 109.839 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -127.6 166.37 18.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.777 1.231 . . . . 0.0 111.709 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.59 110.01 12.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.305 1.442 . . . . 0.0 108.169 168.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -122.98 143.64 49.78 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.772 0.429 . . . . 0.0 110.154 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -77.4 160.47 28.73 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.261 0.553 . . . . 0.0 110.044 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -55.41 138.14 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.486 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.67 -2.36 86.01 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.987 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.12 165.61 12.33 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.853 1.327 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -123.48 161.28 25.17 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -168.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -150.29 160.8 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 127.19 2.196 . . . . 0.0 108.951 -167.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -142.65 152.98 43.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.72 142.27 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.045 1.338 . . . . 0.0 109.167 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -139.31 48.66 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 123.553 0.597 . . . . 0.0 111.721 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -120.54 8.71 10.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.914 0.886 . . . . 0.0 111.903 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.02 -10.84 2.27 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.09 137.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.774 0.715 . . . . 0.0 110.482 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -121.68 145.94 47.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.443 1.097 . . . . 0.0 109.6 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.91 143.23 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.305 1.442 . . . . 0.0 107.849 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -139.59 135.19 33.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.655 -0.653 . . . . 0.0 110.026 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -89.65 105.84 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 mt -79.4 -30.42 42.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.062 0.545 . . . . 0.0 110.831 -171.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.02 -172.68 40.75 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 117.431 0.105 . . . . 0.0 113.035 170.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.72 160.74 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.401 0.68 . . . . 0.0 110.54 169.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.57 76.07 1.46 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.779 0.832 . . . . 0.0 109.283 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -115.5 4.03 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.489 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.3 mp0 -94.83 -5.97 43.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.294 0.638 . . . . 0.0 110.378 172.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.45 152.87 37.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.574 0.702 . . . . 0.0 110.718 168.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -132.36 123.83 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.433 1.493 . . . . 0.0 107.329 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -95.04 111.59 23.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.409 1.084 . . . . 0.0 108.466 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -119.53 129.32 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.49 0.716 . . . . 0.0 109.989 -169.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.09 135.54 12.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.53 138.6 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.121 0.969 . . . . 0.0 108.825 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.14 90.02 2.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.267 0.627 . . . . 0.0 109.842 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.16 155.55 58.15 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.371 1.068 . . . . 0.0 110.02 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.35 151.17 81.19 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.393 2.062 . . . . 0.0 110.665 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.46 -1.01 5.65 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.95 -21.69 66.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.254 1.021 . . . . 0.0 111.309 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.7 160.01 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.375 1.07 . . . . 0.0 110.753 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.65 157.09 16.93 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.477 0.711 . . . . 0.0 112.182 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.28 128.91 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 O-C-N 121.554 -0.716 . . . . 0.0 110.211 168.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -150.07 164.6 35.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.718 0.807 . . . . 0.0 111.616 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.92 156.66 30.35 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.74 -37.08 77.98 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.892 -0.505 . . . . 0.0 111.663 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -65.81 -26.14 67.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.888 0.875 . . . . 0.0 112.932 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -88.09 -45.04 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.917 0.887 . . . . 0.0 110.202 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -48.68 -34.71 12.42 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.25 1.82 . . . . 0.0 112.906 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.69 -24.62 67.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.418 1.087 . . . . 0.0 113.315 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -48.01 19.5 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 119.173 0.897 . . . . 0.0 109.728 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.47 ' CD1' ' H ' ' D' ' 51' ' ' ILE . 3.1 mp -62.09 -18.83 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.092 2.157 . . . . 0.0 110.697 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.43 -13.22 18.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.98 -7.23 14.14 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.15 -5.31 0.25 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.641 0.638 . . . . 0.0 113.15 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 78.21 155.26 0.15 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 127.47 2.308 . . . . 0.0 112.969 167.343 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.6 t -143.84 -25.91 0.55 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.874 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.67 131.26 8.77 Favored Pre-proline 0 N--CA 1.452 -0.359 0 C-N-CA 123.586 0.754 . . . . 0.0 109.965 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -65.38 -173.21 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.333 2.689 . . . . 0.0 111.892 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 123.436 0.694 . . . . 0.0 112.86 177.048 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -86.59 121.04 28.56 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.196 0.907 . . . . 0.0 111.859 -166.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -105.97 139.99 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.966 0.906 . . . . 0.0 109.363 173.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.26 165.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.402 1.481 . . . . 0.0 111.298 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 105.16 5.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 166.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -122.39 137.65 54.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.288 -173.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -95.71 168.96 10.35 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -57.93 137.79 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.117 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -5.59 84.52 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.173 -0.793 . . . . 0.0 114.353 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -88.27 169.54 11.77 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.879 1.34 . . . . 0.0 111.739 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -134.92 155.97 49.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.486 0.66 . . . . 0.0 112.485 -170.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -140.8 157.46 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.949 1.7 . . . . 0.0 108.263 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -138.25 148.3 44.58 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mt -136.82 139.54 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.778 1.231 . . . . 0.0 109.095 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.62 50.18 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.2 10.05 7.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.065 0.946 . . . . 0.0 112.434 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -132.33 -9.69 3.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.05 135.95 52.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 119.354 0.979 . . . . 0.0 111.157 -170.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -128.25 145.79 50.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.512 1.125 . . . . 0.0 110.217 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -124.86 141.52 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.623 1.569 . . . . 0.0 108.038 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -137.43 126.6 24.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.947 0.499 . . . . 0.0 110.166 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.99 112.92 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 170.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.46 -32.16 42.58 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.976 0.51 . . . . 0.0 110.698 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -174.19 34.69 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.265 0.46 . . . . 0.0 113.419 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.45 157.87 26.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 117.511 0.655 . . . . 0.0 112.571 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -150.06 101.9 3.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.925 1.29 . . . . 0.0 109.101 168.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -116.3 5.56 Favored Glycine 0 CA--C 1.525 0.691 0 O-C-N 121.805 -0.559 . . . . 0.0 112.083 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -90.83 -16.38 28.39 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.604 0.702 . . . . 0.0 111.157 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.7 150.52 29.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.437 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.29 110.03 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 126.419 1.888 . . . . 0.0 106.212 -168.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -89.12 124.59 34.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.09 131.85 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.165 0.586 . . . . 0.0 110.971 -168.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 142.49 16.03 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.391 0.996 . . . . 0.0 111.843 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.23 128.96 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.026 1.331 . . . . 0.0 108.977 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.11 99.5 5.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.983 0.513 . . . . 0.0 109.718 -170.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 155.67 71.14 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.46 1.104 . . . . 0.0 110.434 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.95 159.12 35.17 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.769 2.313 . . . . 0.0 111.888 170.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -69.91 -0.89 8.13 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.273 0.629 . . . . 0.0 112.645 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.96 -22.75 67.05 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.653 1.181 . . . . 0.0 111.482 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.02 157.65 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.329 1.051 . . . . 0.0 110.94 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.66 156.49 16.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.88 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.06 126.99 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.209 0.604 . . . . 0.0 110.223 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -152.97 167.73 28.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.409 0.684 . . . . 0.0 111.891 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -69.11 159.39 33.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -19.8 65.87 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -60.2 -55.49 33.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.422 0.689 . . . . 0.0 110.054 169.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -71.41 -36.01 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.272 0.629 . . . . 0.0 109.966 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.99 -35.54 46.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.315 1.046 . . . . 0.0 112.748 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -61.41 -21.98 64.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.497 0.719 . . . . 0.0 112.528 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.05 -45.47 60.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.397 0.679 . . . . 0.0 109.838 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.78 -23.03 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.415 1.486 . . . . 0.0 110.264 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -85.23 -40.76 16.27 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.98 -31.87 9.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -166.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.1 -23.63 1.13 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 123.906 0.765 . . . . 0.0 112.99 -169.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.26 166.23 0.2 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 128.129 2.572 . . . . 0.0 113.615 169.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -102.92 -3.92 25.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.757 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.0 135.97 27.49 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.205 1.002 . . . . 0.0 109.836 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -63.17 176.73 1.83 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.146 2.564 . . . . 0.0 113.563 172.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.454 -0.246 0 C-N-CA 124.421 1.088 . . . . 0.0 112.685 178.128 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -95.99 148.32 22.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.75 0.42 . . . . 0.0 111.429 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.97 127.96 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.92 149.59 39.9 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.058 1.343 . . . . 0.0 108.989 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.82 96.86 5.12 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 122.003 0.906 . . . . 0.0 108.649 168.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -109.75 162.24 14.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.825 1.65 . . . . 0.0 109.118 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -114.79 177.05 4.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.74 134.79 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.098 0.475 . . . . 0.0 111.98 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.0 75.65 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 118.815 -0.992 . . . . 0.0 115.42 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 169.21 18.43 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.732 1.766 . . . . 0.0 112.64 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -136.84 143.1 42.92 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.758 1.223 . . . . 0.0 111.979 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.7 156.54 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 126.672 1.989 . . . . 0.0 108.227 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -129.21 147.24 51.04 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.645 0.778 . . . . 0.0 111.86 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.1 143.59 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.511 1.125 . . . . 0.0 109.062 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.18 -135.06 51.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -125.05 10.08 8.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.04 0.936 . . . . 0.0 112.729 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -139.09 -15.98 1.1 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.18 138.51 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.63 1.104 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 50.9 m -132.14 141.26 49.07 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.355 1.062 . . . . 0.0 110.699 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -126.76 124.43 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.874 1.27 . . . . 0.0 109.572 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -119.35 136.43 54.27 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.355 1.062 . . . . 0.0 110.066 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.55 116.83 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.36 -30.69 21.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.975 0.51 . . . . 0.0 111.048 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.08 -175.07 36.07 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 123.185 0.422 . . . . 0.0 113.582 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -118.88 159.49 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 C-N-CA 123.701 0.801 . . . . 0.0 112.046 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.57 89.93 1.67 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.665 1.186 . . . . 0.0 109.174 169.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.6 -102.92 1.26 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -100.24 -19.97 16.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.514 0.657 . . . . 0.0 112.084 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -72.62 143.45 48.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.232 0.539 . . . . 0.0 110.211 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.37 113.79 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -86.81 127.94 35.02 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.55 0.74 . . . . 0.0 109.365 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.7 147.05 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.052 0.941 . . . . 0.0 110.239 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.27 141.61 15.91 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.237 0.922 . . . . 0.0 111.25 170.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -130.82 130.82 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.264 1.026 . . . . 0.0 109.825 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -125.04 106.31 9.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.302 1.041 . . . . 0.0 109.133 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.65 157.91 76.86 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.074 0.949 . . . . 0.0 111.222 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -66.2 160.62 44.07 Favored 'Trans proline' 0 N--CA 1.449 -1.097 0 C-N-CA 122.888 2.392 . . . . 0.0 112.127 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -6.26 12.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 171.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.43 -14.87 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.818 1.247 . . . . 0.0 112.388 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.73 165.12 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.4 162.7 12.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.386 0.674 . . . . 0.0 111.462 171.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.95 127.53 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.576 0.75 . . . . 0.0 110.105 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.18 176.2 12.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.147 0.979 . . . . 0.0 110.091 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.99 163.92 23.87 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.817 -0.552 . . . . 0.0 109.878 168.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.22 -30.23 69.26 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.837 0.455 . . . . 0.0 112.105 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.48 -44.36 80.53 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.04 0.936 . . . . 0.0 111.735 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.96 -29.61 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.689 0.796 . . . . 0.0 110.456 -170.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -50.03 -35.15 23.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.331 1.052 . . . . 0.0 112.563 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.49 -21.88 60.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.297 1.039 . . . . 0.0 112.852 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.64 -46.37 54.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.644 0.657 . . . . 0.0 109.702 174.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 -23.0 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.202 1.001 . . . . 0.0 110.302 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -85.33 -56.04 3.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.1 -4.5 16.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 -166.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.06 62.48 0.3 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -171.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . 0.53 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.5 OUTLIER -54.17 149.01 10.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.549 1.54 . . . . 0.0 113.714 -165.112 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -88.77 145.49 25.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.574 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 45.23 71.49 1.52 Allowed Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 125.24 1.416 . . . . 0.0 113.006 -173.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.82 -43.56 46.08 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 124.015 3.143 . . . . 0.0 113.934 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 123.563 0.745 . . . . 0.0 110.001 -168.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.687 -3.209 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.66 3.46 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 O4'-C1'-N19 112.767 4.567 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C5'-C4'-O4' 114.548 3.82 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 C5'-C4'-C3' 109.432 -4.046 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 C5'-C4'-O4' 115.173 4.266 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.555 " H3'" ' C2 ' ' G' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.049 2 C3'-C2'-C1' 96.741 -5.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C3'-C2'-C1' 104.412 3.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 0 O5'-C5'-C4' 113.216 2.154 . 0.022 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 110.028 -3.648 . 0.189 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 111.361 3.161 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C4'-C3' 108.777 2.341 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 110.785 -3.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 100.182 -2.518 . 0.945 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.676 3.476 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 O4'-C1'-N19 110.942 2.742 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 112.863 -1.758 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C5'-C4'-C3' 112.259 -2.161 . 0.254 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 1 C1'-O4'-C4' 105.062 -5.043 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 O4'-C1'-N19 112.539 4.339 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 2 C4'-C3'-C2' 98.425 -4.275 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C5'-C4'-O4' 112.733 2.524 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.447 4.247 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.21 4.01 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 N19-C1'-C2' 108.7 -2.938 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O5'-C5'-C4' 114.282 2.916 . 0.542 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.666 -2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 111.704 -2.531 . 0.056 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 111.67 -2.553 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 0 O4'-C1'-N19 111.444 3.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.454 -2.246 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.301 3.101 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 1 O4'-C1'-N19 112.539 4.339 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 99.374 -3.326 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C4'-C3'-C2' 99.525 -3.175 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 111.616 3.416 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 110.991 2.791 . 0.52 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 110.861 2.661 . 0.572 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C3'-C2'-C1' 104.149 2.943 . 0.193 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 113.402 5.202 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 1 C5'-C4'-C3' 109.191 -4.206 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.986 3.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C3'-C2'-C1' 104.964 3.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 2 O4'-C1'-N19 112.825 4.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.245 4.045 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 99.645 -3.055 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 112.354 4.154 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.491 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 C3'-C2'-C1' 105.236 4.151 . 0.262 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.491 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.611 -3.089 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.299 3.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.343 0 C5'-C4'-C3' 111.009 -2.994 . 0.419 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.354 1 O5'-C5'-C4' 117.389 5.135 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.987 -2.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.496 4.296 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C5'-C4'-O4' 112.673 2.48 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.717 2.517 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 O4'-C1'-N19 114.297 6.097 . 0.227 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 1 O4'-C1'-N19 112.624 4.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 2 O4'-C1'-N19 112.689 4.489 . 0.01 4d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 111.573 3.373 . 0.331 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.076 2.876 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C3'-C2'-C1' 104.416 3.24 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.448 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.334 0 C5'-C4'-C3' 110.28 -3.48 . 0.54 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.448 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.615 -3.085 . 0.129 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C3'-C2'-C1' 103.827 2.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 0 C5'-C4'-O4' 112.24 2.171 . 0.143 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 C5'-C4'-C3' 106.117 -6.256 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 P-O3'-C3' 126.062 5.301 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 99.937 -2.763 . 0.952 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.439 4.239 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.383 3.183 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C4'-C3'-C2' 100.734 -1.966 . 0.634 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 109.43 21.34 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.584 0.753 . . . . 0.0 109.326 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.67 137.14 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.022 0.929 . . . . 0.0 109.114 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -132.44 156.19 47.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.192 0.997 . . . . 0.0 109.693 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -115.96 100.96 8.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.65 130.09 56.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.603 0.761 . . . . 0.0 110.326 -169.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -94.09 154.45 17.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.58 134.76 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 119.594 -0.843 . . . . 0.0 112.049 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 -2.71 68.32 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.705 1.145 . . . . 0.0 114.198 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -100.21 171.01 8.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.84 1.32 . . . . 0.0 111.664 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -136.15 151.34 49.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.8 mm -112.9 158.5 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 125.908 1.683 . . . . 0.0 109.781 169.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.4 140.27 52.29 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.966 1.306 . . . . 0.0 110.027 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mt -134.58 130.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.035 0.934 . . . . 0.0 109.643 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.66 -127.63 28.73 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.05 2.0 5.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.87 0.868 . . . . 0.0 112.101 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -147.55 -7.87 0.44 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -105.6 136.64 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.417 1.008 . . . . 0.0 110.431 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -129.34 143.66 50.93 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.841 0.856 . . . . 0.0 109.249 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -122.78 141.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.645 1.178 . . . . 0.0 108.235 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -135.56 127.74 29.98 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.269 0.486 . . . . 0.0 110.142 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -79.37 106.45 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.25 -35.42 63.81 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.67 -168.0 33.21 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 166.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.4 m -88.23 163.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.813 0.845 . . . . 0.0 112.422 -169.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 m -148.47 61.02 1.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.082 1.353 . . . . 0.0 109.546 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.84 -121.87 9.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -171.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.13 -0.36 44.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.61 0.764 . . . . 0.0 111.839 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.02 163.08 12.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.88 0.848 . . . . 0.0 111.559 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.6 t -140.91 128.82 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.739 1.616 . . . . 0.0 108.139 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -107.0 101.94 11.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.77 0.828 . . . . 0.0 110.373 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -108.79 132.06 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.413 1.485 . . . . 0.0 109.542 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.98 141.71 15.35 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.044 0.831 . . . . 0.0 111.876 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.9 mt -115.57 129.95 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.332 1.453 . . . . 0.0 108.183 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -119.69 74.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.232 1.015 . . . . 0.0 109.379 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.08 153.1 41.18 Favored Pre-proline 0 N--CA 1.454 -0.264 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.612 171.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.1 156.31 47.14 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.604 2.203 . . . . 0.0 110.467 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -69.46 -2.65 11.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.86 -24.74 63.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.915 0.886 . . . . 0.0 111.884 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -117.55 144.08 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.901 0.858 . . . . 0.0 111.74 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.09 143.0 30.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 110.85 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.64 130.33 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 122.678 0.391 . . . . 0.0 110.336 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -151.54 -175.89 5.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.283 1.033 . . . . 0.0 110.064 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.96 163.18 25.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 170.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -63.14 -26.45 68.82 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.31 -23.68 65.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 112.627 172.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -120.19 -26.52 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.885 1.274 . . . . 0.0 111.127 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.33 -31.08 72.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.335 -0.853 . . . . 0.0 110.498 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.52 -18.46 61.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.723 0.809 . . . . 0.0 111.672 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.22 -36.68 58.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.132 0.973 . . . . 0.0 110.789 169.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.0 mt -63.87 -51.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.662 0.785 . . . . 0.0 109.251 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -84.05 5.16 26.96 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.704 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -21.11 65.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.68 0.392 . . . . 0.0 112.038 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.86 -6.57 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 124.217 0.913 . . . . 0.0 113.074 174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -93.07 90.89 7.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.607 1.194 . . . . 0.0 111.321 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.4 p -126.97 -33.47 2.45 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.051 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.0 153.99 48.37 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.736 1.214 . . . . 0.0 110.031 168.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -70.54 163.79 37.62 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.025 2.483 . . . . 0.0 112.008 175.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 124.789 1.236 . . . . 0.0 110.643 -176.261 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -114.44 121.92 45.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 55.6 mt -118.01 141.41 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -165.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.39 139.17 46.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.864 1.265 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -116.23 107.75 15.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -131.16 159.31 38.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.754 0.822 . . . . 0.0 110.868 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -87.51 164.85 15.91 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.064 0.459 . . . . 0.0 112.183 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.84 134.72 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.078 0.466 . . . . 0.0 110.584 172.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.67 -3.06 67.77 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.637 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.6 162.21 18.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.087 1.444 . . . . 0.0 112.632 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -127.22 143.58 51.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.268 1.027 . . . . 0.0 111.651 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 8.4 mt -136.07 154.33 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.348 1.459 . . . . 0.0 109.298 -170.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -138.0 144.84 41.28 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -169.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.85 127.99 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.455 1.102 . . . . 0.0 109.83 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -135.59 51.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.7 4.77 6.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.756 0.822 . . . . 0.0 112.788 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -110.81 -21.76 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.72 136.01 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-N 119.023 0.829 . . . . 0.0 111.644 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -133.02 150.91 52.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.04 1.336 . . . . 0.0 109.761 170.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -130.17 146.72 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.125 1.77 . . . . 0.0 108.058 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -140.49 130.28 24.44 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.006 -0.434 . . . . 0.0 110.042 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.02 108.58 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.03 -29.92 43.87 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.09 -0.381 . . . . 0.0 110.884 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.49 -179.67 32.16 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 122.791 0.234 . . . . 0.0 112.688 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.62 153.84 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 121.237 0.542 . . . . 0.0 111.082 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -136.79 72.92 1.43 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.76 1.224 . . . . 0.0 108.718 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.3 -112.87 3.66 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.449 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -110.86 16.49 21.26 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.401 0.62 . . . . 0.0 111.712 169.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -99.0 157.24 16.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.374 1.07 . . . . 0.0 108.952 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -137.22 122.29 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.337 0.255 . . . . 0.0 110.328 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -88.24 119.96 29.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.087 0.955 . . . . 0.0 109.762 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.27 132.51 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.294 1.038 . . . . 0.0 109.88 -169.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.54 140.01 14.81 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -121.57 132.34 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.778 0.799 . . . . 0.0 109.514 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.41 75.01 1.61 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.208 -168.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.5 156.5 49.18 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.113 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -56.96 153.12 39.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.619 1.546 . . . . 0.0 110.731 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -68.18 -0.83 5.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.162 0.585 . . . . 0.0 112.051 172.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.93 -28.62 69.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.92 1.688 . . . . 0.0 112.584 171.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -106.72 144.1 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.237 1.015 . . . . 0.0 110.769 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.462 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -83.17 141.59 31.82 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.592 0.711 . . . . 0.0 112.304 170.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.54 98.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.904 -167.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.462 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.6 OUTLIER -148.73 162.04 40.56 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.814 -0.554 . . . . 0.0 111.507 -179.305 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.21 159.33 29.28 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -56.13 -33.07 64.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.651 0.781 . . . . 0.0 112.471 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.35 -55.09 31.96 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.403 1.001 . . . . 0.0 110.235 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.91 -45.52 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 110.045 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -51.03 -40.09 57.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.058 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.39 -25.47 65.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.8 -41.42 30.42 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.977 0.808 . . . . 0.0 110.241 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.23 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -80.26 4.72 16.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.98 -17.0 51.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.122 0.569 . . . . 0.0 111.861 169.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.62 47.64 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.836 169.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.91 -176.42 2.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.656 0.728 . . . . 0.0 112.501 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -128.64 179.54 5.63 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.094 1.358 . . . . 0.0 109.474 167.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.11 121.76 1.6 Allowed Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 124.445 1.098 . . . . 0.0 111.744 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.71 153.3 30.71 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.656 2.904 . . . . 0.0 113.907 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.677 1.191 . . . . 0.0 112.288 169.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 109.7 16.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.062 1.745 . . . . 0.0 106.292 164.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.49 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.739 0.816 . . . . 0.0 109.757 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.7 134.91 50.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.53 0.732 . . . . 0.0 109.473 167.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -89.51 139.13 30.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.774 0.829 . . . . 0.0 109.253 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 134.48 21.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.175 -0.328 . . . . 0.0 111.847 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.8 tptm -76.83 152.9 35.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.634 0.773 . . . . 0.0 110.193 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -58.35 138.68 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 121.768 -0.583 . . . . 0.0 111.952 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.88 82.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.59 1.09 . . . . 0.0 114.193 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.31 169.4 12.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.856 1.328 . . . . 0.0 112.983 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -125.79 155.29 41.3 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.33 1.052 . . . . 0.0 112.779 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mt -143.71 153.59 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.642 1.977 . . . . 0.0 108.81 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -124.66 148.79 47.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.104 0.962 . . . . 0.0 111.767 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -135.41 130.85 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.703 1.201 . . . . 0.0 108.969 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.53 -137.74 45.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -123.95 10.02 8.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.099 0.96 . . . . 0.0 111.864 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -119.07 -17.47 8.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.435 1.094 . . . . 0.0 113.097 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.19 139.79 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 118.784 0.72 . . . . 0.0 111.138 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -129.2 141.15 51.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.674 1.19 . . . . 0.0 109.228 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -122.05 141.58 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.798 1.239 . . . . 0.0 108.491 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.16 132.16 35.62 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.588 0.355 . . . . 0.0 110.104 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -87.01 117.57 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.56 -35.12 12.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.017 -0.427 . . . . 0.0 110.168 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.07 38.76 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 169.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -110.99 154.19 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 123.616 0.766 . . . . 0.0 110.322 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -151.62 107.95 3.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.308 1.043 . . . . 0.0 108.796 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.04 -130.82 30.35 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -169.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -92.6 1.29 57.34 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.898 0.879 . . . . 0.0 112.17 172.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.99 153.11 21.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.069 0.948 . . . . 0.0 110.752 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 36.5 t -134.5 124.19 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.047 0.939 . . . . 0.0 108.838 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.69 115.23 20.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -122.12 130.19 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.694 1.197 . . . . 0.0 109.259 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.23 136.93 12.96 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 124.003 0.811 . . . . 0.0 111.72 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -122.33 121.07 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.198 0.999 . . . . 0.0 108.901 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -120.27 95.52 4.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.977 0.511 . . . . 0.0 110.168 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.13 157.25 78.76 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 124.303 1.041 . . . . 0.0 110.115 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.59 154.32 65.78 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.698 2.265 . . . . 0.0 111.411 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.6 -1.01 3.21 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.424 0.689 . . . . 0.0 112.566 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.9 -22.39 66.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.207 1.003 . . . . 0.0 111.37 169.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.68 147.59 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.008 0.923 . . . . 0.0 110.736 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.19 156.3 23.27 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.807 0.443 . . . . 0.0 111.102 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.01 129.38 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.062 0.545 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -155.8 165.94 35.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.569 0.622 . . . . 0.0 112.071 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.62 162.03 25.54 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 166.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 123.237 0.615 . . . . 0.0 112.062 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.84 -45.31 82.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.852 0.861 . . . . 0.0 111.467 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -91.37 -30.09 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.834 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.77 -39.82 26.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.217 0.607 . . . . 0.0 111.594 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.31 -20.82 2.96 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.59 1.956 . . . . 0.0 114.137 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -87.19 -39.42 15.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 172.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.421 HD13 ' H ' ' C' ' 51' ' ' ILE . 1.7 mp -49.97 -41.75 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 125.454 1.501 . . . . 0.0 112.661 -168.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.552 ' H ' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -104.98 2.01 29.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 126.394 1.878 . . . . 0.0 110.083 -168.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.49 -15.47 52.32 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.301 1.84 . . . . 0.0 112.915 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.18 125.37 4.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -169.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.15 161.56 14.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.471 0.709 . . . . 0.0 111.692 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.6 p -86.73 150.82 23.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.936 0.894 . . . . 0.0 111.631 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.42 72.23 1.23 Allowed Pre-proline 0 CA--C 1.531 0.236 0 C-N-CA 125.693 1.597 . . . . 0.0 113.388 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.34 174.41 6.2 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.898 2.399 . . . . 0.0 113.476 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 124.375 1.07 . . . . 0.0 112.914 -178.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.42 109.67 14.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.598 1.959 . . . . 0.0 106.533 166.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -93.58 135.26 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.452 1.101 . . . . 0.0 109.103 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -121.36 166.94 13.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.481 1.112 . . . . 0.0 110.491 172.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.16 109.83 14.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 168.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.52 127.51 54.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.238 -0.289 . . . . 0.0 110.309 -172.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -71.88 153.59 41.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.36 135.35 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.223 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -2.45 84.97 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.283 0.944 . . . . 0.0 114.257 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.94 171.38 9.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.137 1.469 . . . . 0.0 111.974 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -129.9 159.67 35.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -168.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mt -143.23 159.22 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 127.259 2.223 . . . . 0.0 108.607 -171.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.39 150.48 47.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 111.918 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -134.03 139.61 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.674 1.19 . . . . 0.0 109.11 177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.36 -135.69 51.65 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -122.37 3.29 9.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.012 0.925 . . . . 0.0 111.981 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.74 -11.83 3.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -170.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.61 137.26 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.679 0.672 . . . . 0.0 110.513 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -120.03 149.74 41.67 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.553 1.141 . . . . 0.0 109.487 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.38 145.97 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.63 1.572 . . . . 0.0 107.706 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -141.96 137.03 30.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.757 -0.589 . . . . 0.0 109.833 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.87 98.92 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.42 -30.54 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.583 -0.698 . . . . 0.0 111.1 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -173.66 40.59 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.592 -0.337 . . . . 0.0 113.636 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 m -112.45 159.56 12.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.522 0.729 . . . . 0.0 111.176 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -145.24 76.67 1.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.873 0.869 . . . . 0.0 109.909 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.23 -116.21 4.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.59 -3.76 45.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.074 0.55 . . . . 0.0 110.601 169.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.425 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 73.9 mt-30 -76.09 158.61 31.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.456 0.646 . . . . 0.0 111.655 169.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.47 125.57 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.587 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -82.53 114.59 21.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.42 121.0 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.729 0.812 . . . . 0.0 109.075 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.13 134.54 12.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -125.44 136.47 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.11 89.97 2.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.9 158.77 46.93 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 124.645 1.178 . . . . 0.0 109.424 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.85 150.15 87.22 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.72 1.613 . . . . 0.0 110.321 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -68.77 -1.06 6.21 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.05 -23.53 66.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.128 1.371 . . . . 0.0 111.81 168.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.26 159.9 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.057 0.943 . . . . 0.0 110.987 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.12 157.08 16.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.258 0.623 . . . . 0.0 112.321 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.26 124.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 168.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -149.96 156.37 41.61 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.577 0.751 . . . . 0.0 110.969 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -68.5 157.06 36.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 O-C-N 121.921 -0.487 . . . . 0.0 110.445 169.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.36 -36.16 73.05 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.958 0.903 . . . . 0.0 112.893 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.79 -18.84 64.25 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -95.64 -36.85 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.338 1.055 . . . . 0.0 111.069 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -49.44 -42.83 43.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.307 0.643 . . . . 0.0 111.761 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.68 -23.58 64.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.392 1.077 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . 0.4 ' HD2' ' C5 ' ' G' ' 7' ' ' ' C' . 67.2 mtt180 -79.15 -42.96 24.96 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.815 0.846 . . . . 0.0 110.873 177.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' D' ' 55' ' ' LEU . 5.0 mp -62.76 -32.0 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 110.224 172.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.1 1.98 41.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.449 0.7 . . . . 0.0 111.226 175.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.62 -3.02 57.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.226 1.41 . . . . 0.0 112.327 170.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.99 44.03 0.97 Allowed Glycine 0 CA--C 1.526 0.755 0 CA-C-N 118.459 0.572 . . . . 0.0 113.724 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' D' ' 51' ' ' ILE . 4.1 pp -163.93 -176.0 4.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 117.809 0.805 . . . . 0.0 111.958 -168.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 58.8 m -153.6 107.31 3.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.419 1.088 . . . . 0.0 108.78 166.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 36.27 83.89 0.19 Allowed Pre-proline 0 CA--C 1.531 0.23 0 C-N-CA 126.904 2.082 . . . . 0.0 114.535 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -63.01 169.86 8.39 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.119 2.546 . . . . 0.0 114.441 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.454 -0.254 0 C-N-CA 124.746 1.218 . . . . 0.0 113.166 -174.045 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -128.97 119.46 24.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.688 1.195 . . . . 0.0 109.473 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.62 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.287 1.035 . . . . 0.0 109.995 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -134.64 164.98 26.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.831 1.652 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -133.17 99.9 4.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.73 132.93 52.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.367 1.467 . . . . 0.0 112.147 -168.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -80.59 158.96 25.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.786 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -62.47 136.76 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.4 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.14 86.44 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.0 0.809 . . . . 0.0 114.097 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -96.03 169.71 9.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.713 1.256 . . . . 0.0 111.366 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -130.64 159.75 36.27 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -169.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 99.0 mt -135.92 156.15 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 127.108 2.163 . . . . 0.0 107.97 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.84 147.96 48.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.634 -0.666 . . . . 0.0 112.575 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -138.26 137.77 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.588 1.155 . . . . 0.0 109.177 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.32 50.6 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -125.67 7.41 7.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.701 0.801 . . . . 0.0 112.171 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -132.16 -5.83 3.45 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.77 134.91 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.112 0.869 . . . . 0.0 110.86 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -127.2 142.85 51.38 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.819 1.248 . . . . 0.0 109.375 171.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -122.68 141.23 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.015 1.326 . . . . 0.0 107.826 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.4 m -133.41 129.35 37.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.403 0.281 . . . . 0.0 110.271 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.51 106.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.36 -27.74 52.71 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.954 0.502 . . . . 0.0 110.942 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -173.97 35.02 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 123.61 0.624 . . . . 0.0 113.451 169.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -119.58 158.01 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.561 0.744 . . . . 0.0 112.275 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.97 89.99 1.65 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.824 1.249 . . . . 0.0 109.094 168.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -115.11 6.05 Favored Glycine 0 CA--C 1.526 0.734 0 O-C-N 121.62 -0.675 . . . . 0.0 112.043 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -86.68 -21.83 26.45 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 117.777 0.789 . . . . 0.0 111.16 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -76.43 149.43 36.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.2 1.0 . . . . 0.0 110.94 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.13 112.78 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 -169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -86.74 124.36 32.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.01 135.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 122.711 0.404 . . . . 0.0 110.84 -168.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.5 141.93 15.4 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 124.554 1.073 . . . . 0.0 111.39 171.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -128.89 121.94 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.139 1.375 . . . . 0.0 108.238 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -123.64 98.91 6.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 154.66 71.06 Favored Pre-proline 0 N--CA 1.451 -0.383 0 C-N-CA 124.854 1.261 . . . . 0.0 109.008 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -55.95 151.85 39.35 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 121.783 1.655 . . . . 0.0 111.511 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -65.93 -5.93 10.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.085 0.954 . . . . 0.0 111.821 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.8 -30.0 68.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.719 2.007 . . . . 0.0 113.057 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.93 155.15 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.666 0.786 . . . . 0.0 110.297 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 142.28 31.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.6 135.75 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.789 0.436 . . . . 0.0 110.298 169.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -151.89 167.38 28.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.567 0.747 . . . . 0.0 110.322 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -65.68 154.66 38.25 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -61.54 -27.15 68.41 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.782 0.433 . . . . 0.0 111.241 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.63 -41.62 86.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.949 1.3 . . . . 0.0 112.512 171.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -86.97 -34.14 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.556 1.142 . . . . 0.0 109.942 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.426 1.09 . . . . 0.0 112.347 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -67.77 -24.66 65.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.65 0.78 . . . . 0.0 112.636 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.21 -23.02 60.33 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.499 0.719 . . . . 0.0 110.695 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 81.5 mt -95.88 -46.97 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 124.357 1.063 . . . . 0.0 109.398 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -71.58 3.07 4.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.73 64.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 112.266 169.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.06 31.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.7 0 CA-C-O 119.398 -0.668 . . . . 0.0 114.025 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -157.21 174.35 15.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.171 0.986 . . . . 0.0 112.299 -168.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.25 5.27 3.51 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.524 0.729 . . . . 0.0 111.534 169.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.81 134.05 18.0 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.18 0.992 . . . . 0.0 109.79 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -61.49 175.81 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.3 2.666 . . . . 0.0 113.905 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.454 -0.266 0 C-N-CA 124.518 1.127 . . . . 0.0 112.871 -177.746 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -99.05 147.21 25.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.653 0.381 . . . . 0.0 111.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.82 139.13 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.715 0.806 . . . . 0.0 109.148 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.12 164.82 27.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 109.825 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.18 96.89 4.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -105.01 162.13 13.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.151 1.38 . . . . 0.0 110.786 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -123.51 169.5 11.35 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.51 135.58 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.561 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.09 -10.79 73.18 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.708 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.94 174.4 8.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.305 1.552 . . . . 0.0 112.396 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -137.55 159.75 41.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -134.41 149.42 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 125.985 1.714 . . . . 0.0 108.533 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -114.39 148.01 38.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.989 0.916 . . . . 0.0 111.55 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 76.6 mt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.749 1.22 . . . . 0.0 109.045 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -131.8 50.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.73 10.04 5.52 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.621 0.769 . . . . 0.0 112.79 174.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -130.04 -19.05 3.26 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.82 140.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.095 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -130.42 144.5 51.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.394 1.078 . . . . 0.0 110.473 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -122.23 142.43 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.118 1.767 . . . . 0.0 108.206 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -138.3 136.71 36.71 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.646 0.779 . . . . 0.0 110.432 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -95.56 98.14 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.99 -32.51 72.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.137 -0.352 . . . . 0.0 110.509 -172.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.21 170.23 18.54 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.677 0.656 . . . . 0.0 112.94 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.03 149.38 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.554 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -139.87 89.85 2.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.034 0.934 . . . . 0.0 108.748 168.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.01 -120.11 13.9 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -172.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.03 -17.75 42.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.656 0.782 . . . . 0.0 112.36 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.87 151.26 25.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.704 0.764 . . . . 0.0 110.445 171.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -135.97 119.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -86.65 124.18 32.64 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.47 140.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.272 1.029 . . . . 0.0 109.741 -168.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 143.0 17.95 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.872 0.749 . . . . 0.0 111.243 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.83 139.38 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.52 1.128 . . . . 0.0 109.467 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -129.13 108.08 10.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.426 1.091 . . . . 0.0 109.25 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.74 158.5 75.25 Favored Pre-proline 0 N--CA 1.454 -0.229 0 C-N-CA 124.067 0.947 . . . . 0.0 111.09 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.28 160.03 40.72 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.713 2.275 . . . . 0.0 111.996 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -59.75 -16.68 29.31 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.219 1.008 . . . . 0.0 113.315 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.57 -10.15 59.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.188 1.395 . . . . 0.0 112.193 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -129.07 165.12 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.142 0.977 . . . . 0.0 110.699 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.06 161.14 13.91 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.431 0.692 . . . . 0.0 111.396 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.83 125.33 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.402 0.681 . . . . 0.0 110.519 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -151.99 177.02 10.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.303 1.041 . . . . 0.0 110.167 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -78.62 163.45 25.47 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 168.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.17 -30.53 68.25 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.965 0.506 . . . . 0.0 112.205 -172.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.54 -43.51 79.96 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.114 0.966 . . . . 0.0 111.762 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -90.9 -31.62 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.593 0.757 . . . . 0.0 110.525 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -48.8 -35.56 14.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.621 1.168 . . . . 0.0 112.774 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.7 -21.92 55.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.518 1.127 . . . . 0.0 112.916 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.59 -46.39 32.1 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.417 0.687 . . . . 0.0 109.818 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.74 -24.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.579 1.551 . . . . 0.0 110.483 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -85.19 -20.44 30.18 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.1 -48.99 3.19 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -169.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.17 -10.82 0.23 Allowed Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.538 0.59 . . . . 0.0 113.814 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' F' ' 55' ' ' LEU . 0.0 OUTLIER 67.39 -176.86 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.03 2.132 . . . . 0.0 112.731 168.039 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -78.9 172.76 13.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.906 169.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.28 124.08 37.81 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.443 0.697 . . . . 0.0 111.405 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.72 143.57 94.97 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.316 2.677 . . . . 0.0 113.188 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 125.431 1.492 . . . . 0.0 113.349 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.403 3.203 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.356 3.156 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 112.023 3.823 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . 0.425 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.486 3.286 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.324 3.124 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 C5'-C4'-O4' 114.026 3.447 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.4 ' C5 ' ' HD2' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O4'-C1'-N19 111.957 3.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C3'-C2'-C1' 103.886 2.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 O5'-C5'-C4' 113.343 2.245 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.369 0 C5'-C4'-C3' 110.188 -3.541 . 0.06 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.907 2.707 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.47 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C5'-C4'-C3' 111.256 -2.83 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C5'-C4'-C3' 108.519 -4.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.778 -2.922 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.862 3.662 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 O4'-C1'-N19 110.306 2.106 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 113.681 5.481 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 2 O4'-C1'-N19 112.999 4.799 . 0.655 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 3 O4'-C1'-N19 114.836 6.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.925 4.725 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 2 O4'-C1'-N19 112.762 4.562 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 111.308 -2.794 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O4'-C1'-N19 112.489 4.289 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 112.116 3.916 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 N19-C1'-C2' 109.001 -2.75 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 111.273 3.073 . 0.563 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 C5'-C4'-C3' 111.677 -2.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-C3' 112.014 -2.324 . 0.053 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.659 -2.561 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 111.803 3.603 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.419 -2.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 111.492 3.292 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.461 4.261 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.276 -3.424 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.084 -3.616 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 112.076 3.876 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 O4'-C1'-N19 113.533 5.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 110.943 -3.038 . 0.723 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 0 C3'-C2'-C1' 103.95 2.722 . 0.168 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 O4'-C1'-N19 113.165 4.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.459 1 C5'-C4'-C3' 109.157 -4.229 . 0.104 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 112.066 3.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.884 3.684 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 112.844 4.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.643 4.443 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.206 3.006 . 0.396 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 1 O4'-C1'-N19 112.232 4.032 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.49 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C3'-C2'-C1' 104.537 3.375 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.49 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 99.382 -3.318 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.178 2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C5'-C4'-C3' 111.461 -2.693 . 0.429 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 1 O5'-C5'-C4' 117.175 4.982 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C5'-C4'-C3' 112.009 -2.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 111.865 3.665 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.871 -2.829 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 111.547 3.347 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C5'-C4'-C3' 110.833 -3.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 111.822 -2.452 . 0.146 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 112.121 3.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.539 3.339 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.49 3.29 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 C3'-C2'-C1' 105.149 4.054 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-O4' 114.481 3.772 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 P-O3'-C3' 122.922 2.685 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C3'-C2'-C1' 104.078 2.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 0 C5'-C4'-C3' 111.273 -2.818 . 0.157 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 2 C5'-C4'-C3' 105.658 -6.562 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 1 P-O3'-C3' 125.389 4.741 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 99.806 -2.894 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 O4'-C1'-N19 112.289 4.089 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.295 3.095 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.565 4.365 . 0.271 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 109.77 21.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.14 118.91 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.14 129.4 56.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.677 0.751 . . . . 0.0 108.974 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -81.03 141.05 34.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.597 1.159 . . . . 0.0 108.425 171.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' A' ' 12' ' ' ILE . 8.7 tpt180 -128.28 161.32 29.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.423 1.489 . . . . 0.0 109.279 -167.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -139.28 150.01 44.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 168.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.67 124.96 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 122.258 0.223 . . . . 0.0 110.706 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 -5.9 58.39 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.563 1.077 . . . . 0.0 114.764 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.94 159.21 17.76 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.87 1.335 . . . . 0.0 112.185 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -130.59 143.18 50.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.7 mm -117.69 153.7 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 125.338 1.455 . . . . 0.0 109.441 175.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -123.38 136.33 54.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.139 0.975 . . . . 0.0 110.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 mt -129.71 130.47 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.211 1.004 . . . . 0.0 109.771 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.83 -130.4 36.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -124.87 1.08 8.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.297 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -134.45 -19.81 1.87 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.01 132.34 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 119.112 0.869 . . . . 0.0 110.478 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -127.08 143.97 51.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.799 0.839 . . . . 0.0 109.485 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -124.87 142.11 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.408 1.083 . . . . 0.0 108.417 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -135.35 133.8 39.15 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.419 0.688 . . . . 0.0 110.52 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -87.7 98.09 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 172.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -25.94 62.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -174.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.55 -167.96 37.96 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-N 117.794 0.27 . . . . 0.0 113.68 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.23 159.12 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 124.102 0.961 . . . . 0.0 111.305 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 m -138.99 74.7 1.48 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.31 1.044 . . . . 0.0 109.865 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.17 -116.63 5.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.6 -1.8 32.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.452 0.701 . . . . 0.0 111.804 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -98.91 157.11 16.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.697 0.761 . . . . 0.0 111.971 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.21 125.4 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.833 1.653 . . . . 0.0 108.323 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttm105 -111.09 101.88 10.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 110.283 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -110.63 131.09 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.366 1.466 . . . . 0.0 109.581 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.44 134.69 11.89 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 169.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -107.69 127.61 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.948 1.299 . . . . 0.0 108.117 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -114.84 74.99 0.9 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.341 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.84 152.78 40.29 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 114.199 -1.364 . . . . 0.0 110.493 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -72.52 156.59 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.489 2.126 . . . . 0.0 110.51 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -69.59 -0.96 7.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.98 -30.49 71.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.695 0.798 . . . . 0.0 111.117 168.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -118.67 143.97 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.831 0.852 . . . . 0.0 111.396 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.99 28.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.721 0.808 . . . . 0.0 110.656 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.79 129.34 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 122.633 0.373 . . . . 0.0 110.301 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -150.52 -175.99 5.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.102 1.361 . . . . 0.0 109.516 -170.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.49 168.06 18.87 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 172.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.78 -33.82 74.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.213 1.005 . . . . 0.0 112.752 -169.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.62 -26.09 42.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.166 1.387 . . . . 0.0 112.731 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -115.71 -25.67 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.596 1.558 . . . . 0.0 110.819 -174.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.89 -31.54 72.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.328 -0.857 . . . . 0.0 110.466 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.83 -19.3 61.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.09 0.956 . . . . 0.0 111.309 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.48 -35.94 58.12 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.449 1.1 . . . . 0.0 111.034 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.88 -52.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.703 0.801 . . . . 0.0 109.24 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -84.15 5.2 27.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.884 0.874 . . . . 0.0 112.643 -173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -22.84 66.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.852 0.461 . . . . 0.0 112.128 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.28 -4.45 2.04 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.04 0.829 . . . . 0.0 113.286 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.6 90.82 7.28 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 122.15 0.976 . . . . 0.0 111.283 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.6 p -129.95 134.01 47.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.729 -0.607 . . . . 0.0 111.128 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.89 148.86 62.07 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 122.906 0.482 . . . . 0.0 110.795 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -71.46 170.83 17.5 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.734 2.289 . . . . 0.0 112.233 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.58 1.152 . . . . 0.0 112.28 -174.218 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.0 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.58 120.48 42.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.71 139.35 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.791 0.437 . . . . 0.0 111.725 -166.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -132.33 139.77 48.28 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.632 1.173 . . . . 0.0 110.266 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.6 m -112.89 100.91 9.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -125.22 152.91 43.93 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.478 0.711 . . . . 0.0 110.901 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -92.62 169.03 10.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -62.27 134.35 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 110.635 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.31 -3.22 75.73 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.508 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -82.35 160.26 22.88 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 119.041 1.42 . . . . 0.0 111.775 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -130.76 147.88 52.48 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.928 0.891 . . . . 0.0 111.548 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 30.1 mt -134.69 156.02 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.686 1.594 . . . . 0.0 109.397 -170.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -139.16 144.09 38.43 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.537 -0.727 . . . . 0.0 112.588 -170.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -133.32 127.92 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.395 1.078 . . . . 0.0 109.701 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.58 50.79 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.09 5.0 7.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.779 0.832 . . . . 0.0 112.913 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -114.99 -20.73 10.39 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.65 135.39 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 119.144 0.884 . . . . 0.0 111.24 -169.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.8 m -134.56 151.01 50.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.786 1.235 . . . . 0.0 110.07 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.69 147.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.271 1.829 . . . . 0.0 108.194 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m -141.2 130.18 23.21 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.786 0.435 . . . . 0.0 110.215 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.39 107.37 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 171.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.15 -31.92 58.81 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.171 -0.33 . . . . 0.0 111.056 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.22 -175.62 36.98 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-O 120.413 -0.104 . . . . 0.0 113.191 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -113.11 153.9 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.332 0.587 . . . . 0.0 111.477 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -137.66 72.83 1.42 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.948 1.299 . . . . 0.0 108.709 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.86 -114.6 4.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.493 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.32 15.5 23.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.566 0.698 . . . . 0.0 111.426 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -98.94 159.75 14.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.968 167.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.1 t -144.36 118.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.881 0.872 . . . . 0.0 108.825 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.26 34.0 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.291 1.037 . . . . 0.0 109.611 -176.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.13 137.07 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 123.544 0.738 . . . . 0.0 111.151 -168.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.56 142.31 16.02 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 123.755 0.693 . . . . 0.0 112.173 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -126.51 131.91 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.082 0.953 . . . . 0.0 109.082 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -133.07 79.83 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.821 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.75 58.96 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.653 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -60.3 153.17 61.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 121.711 1.607 . . . . 0.0 109.341 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -70.1 -0.85 8.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 122.111 0.958 . . . . 0.0 111.997 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.87 -21.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.928 1.691 . . . . 0.0 110.95 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.49 144.08 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.141 1.376 . . . . 0.0 109.527 175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.08 27.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.32 116.01 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.186 0.994 . . . . 0.0 109.683 171.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.486 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -145.52 160.84 41.02 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.777 1.231 . . . . 0.0 110.811 169.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.0 ptt-85 -67.91 156.69 36.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.725 0.41 . . . . 0.0 111.314 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.46 -40.05 74.21 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.81 -18.67 65.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.24 -50.47 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.939 0.896 . . . . 0.0 110.567 172.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.08 -35.85 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.452 1.101 . . . . 0.0 111.874 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -71.6 -20.81 61.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.39 -39.54 32.27 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.482 1.037 . . . . 0.0 110.089 168.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.44 -40.88 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.74 4.98 14.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -19.26 45.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.042 0.537 . . . . 0.0 111.573 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.22 46.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 CA-C-O 119.396 -0.669 . . . . 0.0 114.439 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -175.69 2.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.973 0.886 . . . . 0.0 112.844 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.6 p -126.39 178.41 5.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.373 1.469 . . . . 0.0 109.367 167.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.16 118.64 1.16 Allowed Pre-proline 0 N--CA 1.455 -0.21 0 C-N-CA 124.591 1.156 . . . . 0.0 111.676 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -67.08 173.63 8.14 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.101 1.867 . . . . 0.0 113.96 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 124.322 1.049 . . . . 0.0 112.373 175.074 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.216 -0.421 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.25 111.4 22.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 166.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.75 134.39 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.941 0.896 . . . . 0.0 109.867 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -129.03 135.71 49.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.599 1.16 . . . . 0.0 109.639 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.5 p -94.89 144.3 25.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.404 0.282 . . . . 0.0 110.789 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.1 123.95 12.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.539 0.336 . . . . 0.0 110.828 -173.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -71.8 149.94 44.83 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 124.196 0.998 . . . . 0.0 109.121 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.59 134.48 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 CA-C-N 119.135 0.88 . . . . 0.0 111.604 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 -5.3 82.67 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.524 1.059 . . . . 0.0 114.254 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -89.85 179.58 5.95 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.134 1.467 . . . . 0.0 112.139 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -141.13 160.01 41.01 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -166.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.25 157.36 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 127.859 2.464 . . . . 0.0 108.256 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -132.31 148.77 52.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.766 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -133.41 133.39 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.343 1.057 . . . . 0.0 108.913 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.42 -138.42 43.61 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.45 9.95 9.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.979 0.912 . . . . 0.0 111.952 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -118.04 -17.25 9.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.344 1.058 . . . . 0.0 113.143 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.77 140.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.41 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -129.83 139.66 51.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.965 1.306 . . . . 0.0 109.249 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.99 137.11 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.49 1.116 . . . . 0.0 108.442 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -131.83 130.44 41.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.619 0.368 . . . . 0.0 110.24 -175.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -84.21 116.65 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 169.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.59 -34.52 13.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.69 178.08 38.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 113.846 0.298 . . . . 0.0 113.846 168.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.08 149.13 14.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 C-N-CA 123.628 0.771 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -144.44 98.91 3.28 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.836 1.254 . . . . 0.0 108.696 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -131.22 22.18 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -169.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.1 0.62 57.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.886 0.874 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 153.83 20.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.048 0.939 . . . . 0.0 110.565 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.02 121.0 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.067 0.947 . . . . 0.0 108.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -78.43 114.76 17.62 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -122.02 127.79 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.642 1.177 . . . . 0.0 109.476 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.6 135.44 12.36 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 123.782 0.706 . . . . 0.0 111.778 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -119.09 117.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.13 0.972 . . . . 0.0 108.639 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -115.66 94.71 4.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.206 0.603 . . . . 0.0 110.073 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.79 78.61 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.364 1.066 . . . . 0.0 109.905 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -62.65 154.01 68.1 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.596 2.198 . . . . 0.0 111.286 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.73 -1.03 3.34 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.339 0.656 . . . . 0.0 112.499 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.9 -22.19 66.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.01 148.04 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.099 0.96 . . . . 0.0 110.74 175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.99 156.98 20.9 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.732 0.413 . . . . 0.0 111.231 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.26 133.75 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.127 0.571 . . . . 0.0 109.641 169.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -154.29 166.06 34.37 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 123.47 0.708 . . . . 0.0 111.487 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -82.46 160.99 22.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -32.95 71.46 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.32 -45.6 87.76 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.712 0.805 . . . . 0.0 111.662 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.04 -30.5 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.247 0.619 . . . . 0.0 110.589 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -51.64 -38.73 56.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.671 0.789 . . . . 0.0 111.975 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.98 -28.03 67.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.659 0.784 . . . . 0.0 112.59 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -73.05 -40.58 64.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.22 0.608 . . . . 0.0 111.687 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -65.96 -21.9 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 121.858 -0.526 . . . . 0.0 110.005 175.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -93.4 2.09 56.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.302 1.041 . . . . 0.0 113.163 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 3.94 7.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.955 0.902 . . . . 0.0 113.029 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.75 -50.93 1.1 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.475 1.036 . . . . 0.0 112.0 172.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.3 mt 58.12 28.43 16.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.608 1.163 . . . . 0.0 113.088 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.1 p -82.0 -14.95 55.23 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.179 0.992 . . . . 0.0 112.356 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.95 137.48 30.29 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.251 1.02 . . . . 0.0 110.202 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.88 176.91 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.227 2.618 . . . . 0.0 113.447 170.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.831 0.853 . . . . 0.0 112.206 177.248 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.19 109.92 19.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.07 128.14 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.214 1.006 . . . . 0.0 108.74 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.3 mt -112.04 168.14 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.106 0.962 . . . . 0.0 110.047 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.17 109.68 12.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.3 130.81 57.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.997 -0.44 . . . . 0.0 111.178 -168.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -73.22 152.24 41.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.746 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.87 137.97 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.343 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.83 -3.28 87.12 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.388 0.994 . . . . 0.0 114.115 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -91.23 171.29 9.34 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.099 1.449 . . . . 0.0 112.009 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -129.58 156.72 43.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.482 0.713 . . . . 0.0 112.872 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.92 160.81 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 126.713 2.005 . . . . 0.0 108.85 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -139.57 149.42 43.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.058 0.943 . . . . 0.0 112.053 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.16 138.44 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.833 1.253 . . . . 0.0 109.053 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.41 -136.27 50.82 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -127.53 10.0 6.63 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 112.551 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -128.5 -12.82 4.93 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.49 137.89 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.055 0.843 . . . . 0.0 111.146 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 64.1 m -123.43 150.22 44.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.678 1.191 . . . . 0.0 109.722 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -133.67 147.24 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.904 1.681 . . . . 0.0 107.64 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -141.65 131.87 24.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.581 -0.699 . . . . 0.0 109.679 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -88.03 99.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.47 -30.91 63.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.875 0.47 . . . . 0.0 110.958 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.03 -172.28 39.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.26 158.51 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 121.217 0.532 . . . . 0.0 110.906 169.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 23.4 t -142.76 78.72 1.62 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.85 1.26 . . . . 0.0 108.273 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.43 -115.34 5.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.426 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mp0 -91.55 -14.67 29.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.167 0.987 . . . . 0.0 110.941 175.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -79.46 149.33 31.59 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.797 0.808 . . . . 0.0 110.869 170.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.97 127.17 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttm-85 -93.17 109.87 21.37 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.87 127.7 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.588 0.755 . . . . 0.0 109.922 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 135.8 12.43 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 123.968 0.794 . . . . 0.0 111.12 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.15 140.03 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.411 1.085 . . . . 0.0 108.792 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.11 89.91 2.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.42 0.688 . . . . 0.0 109.685 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.52 156.67 58.04 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 124.346 1.058 . . . . 0.0 109.874 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -61.34 150.64 84.0 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.156 1.904 . . . . 0.0 110.732 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.51 -1.31 6.37 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.05 -23.26 66.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.891 1.277 . . . . 0.0 111.529 168.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.03 159.23 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.12 157.1 16.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.309 0.643 . . . . 0.0 112.2 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.43 127.04 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.926 0.491 . . . . 0.0 110.054 168.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -150.22 166.65 29.26 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.759 0.824 . . . . 0.0 111.506 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -63.96 157.81 24.01 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 168.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.4 -34.32 77.47 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.446 -0.784 . . . . 0.0 111.682 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.83 -26.32 66.86 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 112.529 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.7 -43.96 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.797 0.839 . . . . 0.0 110.636 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.49 -38.81 14.58 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.84 1.256 . . . . 0.0 112.082 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.51 -21.05 62.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.341 1.057 . . . . 0.0 113.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -44.28 25.14 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.441 1.096 . . . . 0.0 110.223 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.5 mp -73.18 -18.92 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 125.278 1.431 . . . . 0.0 110.155 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -99.35 -11.71 20.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.54 -54.17 2.91 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 119.585 1.084 . . . . 0.0 112.783 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -132.96 -2.45 3.82 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.042 0.829 . . . . 0.0 112.852 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 63.53 55.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.181 1.392 . . . . 0.0 109.382 166.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 11.2 p -73.96 -13.92 60.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -165.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.22 82.19 63.65 Favored Pre-proline 0 N--CA 1.454 -0.26 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 167.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.2 -38.47 91.02 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.697 2.932 . . . . 0.0 113.074 -171.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.452 -0.331 0 C-N-CA 124.101 0.961 . . . . 0.0 111.027 -168.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.95 125.52 41.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.838 0.455 . . . . 0.0 110.75 -168.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.38 131.72 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.59 0.756 . . . . 0.0 109.056 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -126.71 164.96 20.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.495 1.518 . . . . 0.0 110.668 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.58 104.29 6.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 167.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.94 124.68 53.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.61 1.564 . . . . 0.0 109.838 -171.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -90.64 165.73 13.56 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.764 1.165 . . . . 0.0 112.535 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.72 135.69 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.768 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.49 82.11 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.14 0.876 . . . . 0.0 114.104 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -95.38 167.17 11.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.56 1.18 . . . . 0.0 111.423 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -131.51 166.12 22.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -168.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -150.45 155.69 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.772 2.429 . . . . 0.0 108.222 -167.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -136.41 150.88 48.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.9 mt -136.87 137.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.795 1.238 . . . . 0.0 108.903 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -141.19 46.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -117.15 2.89 12.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.932 0.893 . . . . 0.0 112.026 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.07 -7.09 2.69 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.31 135.93 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.994 0.815 . . . . 0.0 110.841 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -125.98 142.29 51.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 109.865 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.27 140.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.983 1.313 . . . . 0.0 108.413 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -138.11 130.57 29.22 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.117 0.567 . . . . 0.0 109.987 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -82.79 106.89 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.45 -31.08 53.58 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.895 -0.503 . . . . 0.0 111.008 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.31 -175.48 35.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 113.838 0.295 . . . . 0.0 113.838 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.83 158.58 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.85 0.86 . . . . 0.0 112.065 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -150.02 89.97 1.64 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.846 1.258 . . . . 0.0 108.939 169.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.45 -113.48 5.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -174.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.7 -20.59 21.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.557 0.678 . . . . 0.0 111.591 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -74.9 142.19 44.07 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.167 0.508 . . . . 0.0 110.084 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.28 117.98 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -87.86 125.32 34.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.68 132.32 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.732 0.813 . . . . 0.0 110.352 -168.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.33 141.43 15.25 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.347 0.975 . . . . 0.0 111.72 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -135.17 124.32 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.899 1.28 . . . . 0.0 108.929 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -125.29 99.73 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -173.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.75 155.34 78.14 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.489 1.116 . . . . 0.0 110.433 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.2 158.22 40.82 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.857 2.371 . . . . 0.0 112.183 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.59 -1.0 12.02 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.473 0.709 . . . . 0.0 112.702 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -23.16 66.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.814 1.246 . . . . 0.0 111.947 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.8 159.21 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.898 0.879 . . . . 0.0 110.925 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.03 16.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.035 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.881 0.472 . . . . 0.0 110.335 169.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -152.31 171.23 18.32 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.386 1.074 . . . . 0.0 110.243 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -83.77 163.96 19.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 168.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.57 66.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.3 -46.01 83.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.769 0.827 . . . . 0.0 110.602 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -82.33 -39.04 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.562 0.745 . . . . 0.0 109.91 -174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -55.46 -37.04 67.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.105 0.962 . . . . 0.0 112.078 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -67.69 -24.34 65.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.104 0.562 . . . . 0.0 112.51 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -77.4 -25.3 50.71 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.399 0.679 . . . . 0.0 111.323 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 61.8 mt -93.66 -30.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.926 1.29 . . . . 0.0 110.262 -172.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -84.95 3.13 39.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.99 0.41 1.24 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.78 39.28 0.66 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-N 118.698 0.681 . . . . 0.0 113.36 171.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.97 -43.07 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -168.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 48.02 34.86 4.49 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.937 1.295 . . . . 0.0 112.763 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.38 133.52 6.53 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.436 1.094 . . . . 0.0 109.172 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -54.32 128.58 30.6 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.798 2.332 . . . . 0.0 113.253 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.456 -0.144 0 C-N-CA 126.871 2.068 . . . . 0.0 116.002 169.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mt -95.29 148.4 22.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.978 -0.451 . . . . 0.0 111.53 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.46 135.52 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.751 0.82 . . . . 0.0 108.834 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -128.95 161.36 30.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.697 1.199 . . . . 0.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.98 97.14 4.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 168.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -106.18 149.29 26.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.496 1.118 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -96.39 168.84 10.32 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.63 141.14 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 0.0 112.298 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.76 83.33 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.079 0.847 . . . . 0.0 113.788 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -91.74 174.6 7.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.74 1.27 . . . . 0.0 112.587 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -132.69 160.49 36.6 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.685 0.794 . . . . 0.0 112.807 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -141.12 157.01 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.253 1.821 . . . . 0.0 108.241 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -134.18 143.47 47.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.647 0.779 . . . . 0.0 111.538 -169.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.68 140.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.464 1.106 . . . . 0.0 109.318 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.25 -139.06 48.97 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.48 4.86 11.74 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 172.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -136.46 -13.88 1.74 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.17 135.52 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 119.063 0.847 . . . . 0.0 110.418 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -129.64 141.23 50.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.786 0.835 . . . . 0.0 110.386 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -117.33 142.0 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 C-N-CA 125.855 1.662 . . . . 0.0 108.141 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -134.21 128.18 33.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.311 0.644 . . . . 0.0 109.653 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -84.22 108.78 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.59 -24.51 36.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.483 0.713 . . . . 0.0 111.068 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.58 -170.88 32.38 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.101 0.381 . . . . 0.0 113.878 168.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.95 155.43 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.74 0.816 . . . . 0.0 111.973 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -142.16 89.94 2.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.792 1.237 . . . . 0.0 108.849 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.95 -106.78 1.76 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -93.1 -20.81 20.15 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 117.358 0.579 . . . . 0.0 111.808 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -73.04 139.33 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 122.894 0.478 . . . . 0.0 110.11 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.8 t -130.64 113.68 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -88.15 118.54 27.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.255 1.022 . . . . 0.0 109.234 -174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.86 133.47 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.652 0.781 . . . . 0.0 110.374 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.89 142.04 15.4 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.222 0.915 . . . . 0.0 111.283 171.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -130.09 131.08 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.437 1.095 . . . . 0.0 109.458 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -126.3 106.63 9.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.216 1.007 . . . . 0.0 109.234 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.22 158.28 76.0 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 111.336 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.58 161.81 33.81 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.968 2.445 . . . . 0.0 112.341 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.01 -11.66 59.33 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.635 0.774 . . . . 0.0 112.659 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.96 -20.51 66.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.083 1.353 . . . . 0.0 112.594 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -126.89 164.28 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.769 0.828 . . . . 0.0 111.299 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.64 162.84 13.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.135 0.574 . . . . 0.0 111.661 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.01 123.99 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.508 0.723 . . . . 0.0 109.885 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -153.41 173.58 15.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.181 0.992 . . . . 0.0 110.124 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -76.68 158.66 30.85 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 167.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.26 -21.22 66.71 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.71 -46.18 77.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.588 0.755 . . . . 0.0 111.587 171.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.1 -31.63 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.743 0.817 . . . . 0.0 110.203 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.75 -38.57 67.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.47 -25.93 66.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.196 0.598 . . . . 0.0 112.411 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -76.58 -23.0 53.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.432 0.693 . . . . 0.0 111.376 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 76.1 mt -97.64 -32.72 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 125.354 1.462 . . . . 0.0 110.52 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -80.6 3.0 23.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 173.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.89 1.34 2.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.49 38.89 0.82 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 118.836 0.744 . . . . 0.0 113.606 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.97 -36.04 0.08 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -168.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m 47.17 44.47 15.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.173 1.389 . . . . 0.0 112.837 -169.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.05 119.53 2.75 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 123.681 0.792 . . . . 0.0 110.278 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.71 145.1 91.44 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.977 2.452 . . . . 0.0 112.722 173.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 125.077 1.351 . . . . 0.0 112.921 172.191 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 O4'-C1'-N19 111.839 3.639 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 O4'-C1'-N19 111.411 3.211 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 1 O4'-C1'-N19 112.909 4.709 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 O4'-C1'-N19 112.436 4.236 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 C3'-C2'-C1' 104.607 3.452 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 C5'-C4'-C3' 107.619 -5.254 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 1 C5'-C4'-C3' 108.69 -4.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C3'-C2'-C1' 104.248 3.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 O4'-C1'-N19 110.58 2.38 . 0.044 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.61 3.455 . 0.252 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 111.08 2.88 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C3'-C2'-C1' 103.732 2.481 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 110.95 -3.033 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C4'-C3'-C2' 99.717 -2.983 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.7 3.5 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 O4'-C1'-N19 110.586 2.386 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 110.586 -3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 0 C5'-C4'-C3' 111.613 -2.591 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 112.819 4.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.248 4.048 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 2 O4'-C1'-N19 112.678 4.478 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C5'-C4'-C3' 111.565 -2.623 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 1 O4'-C1'-N19 112.786 4.586 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 112.114 3.914 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 N19-C1'-C2' 108.401 -3.124 . 0.446 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 O4'-C1'-N19 111.22 3.02 . 0.501 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.486 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.874 -2.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 112.091 -2.273 . 0.048 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C5'-C4'-C3' 111.282 -2.812 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.44 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 C5'-C4'-C3' 109.361 -4.092 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.44 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 P-O3'-C3' 125.244 4.62 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.387 3.187 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.506 4.306 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 99.168 -3.532 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 99.496 -3.204 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 O4'-C1'-N19 112.314 4.114 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 113.744 5.544 . 0.361 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.463 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 111.486 -2.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.463 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.231 3.035 . 0.12 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 O4'-C1'-N19 113.311 5.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.478 0 C5'-C4'-C3' 109.516 -3.989 . 0.071 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.521 4.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C5'-C4'-C3' 112.123 -2.252 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.283 4.083 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.252 4.052 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.203 3.003 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 1 O4'-C1'-N19 112.751 4.551 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.433 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.375 1 C3'-C2'-C1' 105.56 4.511 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.433 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 112.366 -2.089 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.104 2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 C5'-C4'-C3' 111.621 -2.586 . 0.452 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.468 1 O5'-C5'-C4' 116.843 4.745 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C5'-C4'-C3' 111.471 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.344 4.144 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-O4' 112.808 2.577 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.705 3.505 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 1 O4'-C1'-N19 113.139 4.939 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C5'-C4'-C3' 111.301 -2.8 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.716 3.516 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O4'-C1'-N19 111.428 3.228 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.39 3.19 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C3'-C2'-C1' 104.967 3.853 . 0.13 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 114.201 3.572 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.348 0 P-O3'-C3' 122.587 2.406 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.631 3.479 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 0 C5'-C4'-C3' 110.22 -3.52 . 0.153 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 2 C5'-C4'-C3' 105.351 -6.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 P-O3'-C3' 125.36 4.716 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 N19-C1'-C2' 109.073 -2.705 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.249 4.049 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 O4'-C1'-N19 111.257 3.057 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O4'-C1'-N19 111.732 3.532 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.06 109.54 22.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.702 0.801 . . . . 0.0 109.198 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.86 136.62 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.006 0.922 . . . . 0.0 109.152 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.97 154.85 50.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.207 1.003 . . . . 0.0 109.745 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -115.66 100.92 8.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.08 133.2 54.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.47 0.708 . . . . 0.0 110.452 -168.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.66 154.32 18.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.768 0.427 . . . . 0.0 109.863 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.97 124.36 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 122.88 0.472 . . . . 0.0 111.004 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.41 -5.87 60.91 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.849 1.214 . . . . 0.0 114.44 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -96.97 169.05 10.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.796 1.298 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -135.92 150.1 49.19 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -168.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 5.9 mm -106.68 158.41 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 125.876 1.67 . . . . 0.0 109.67 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -130.71 138.97 50.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.615 1.166 . . . . 0.0 110.13 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.7 mt -132.9 130.5 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.17 0.988 . . . . 0.0 109.55 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.53 -126.1 27.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.96 3.62 4.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.641 0.777 . . . . 0.0 112.358 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -136.77 -20.17 1.32 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.96 136.33 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.858 0.754 . . . . 0.0 110.221 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -130.8 141.66 50.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.765 0.826 . . . . 0.0 109.418 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.32 141.86 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.63 1.172 . . . . 0.0 108.147 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -135.84 132.95 37.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.635 0.652 . . . . 0.0 110.324 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.39 101.11 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.29 -28.8 61.35 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.026 -0.421 . . . . 0.0 110.115 -175.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -169.26 38.81 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 122.938 0.304 . . . . 0.0 113.399 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.28 153.25 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.696 0.798 . . . . 0.0 111.519 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -138.38 60.96 1.6 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.878 1.271 . . . . 0.0 109.681 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.74 -123.52 6.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -76.95 -18.45 58.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.418 0.609 . . . . 0.0 112.222 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.8 pt20 -98.77 149.74 22.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.36 1.076 . . . . 0.0 112.053 174.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.14 126.38 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.841 1.657 . . . . 0.0 108.961 -168.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -90.94 101.99 14.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.853 0.861 . . . . 0.0 109.667 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -110.08 133.77 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.472 1.109 . . . . 0.0 109.677 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.92 140.9 15.78 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.974 0.797 . . . . 0.0 111.682 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -114.41 136.18 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 125.48 1.512 . . . . 0.0 108.325 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.29 74.96 1.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.005 . . . . 0.0 109.233 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.04 154.4 39.57 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 125.247 1.419 . . . . 0.0 110.7 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.03 153.14 57.68 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.581 2.187 . . . . 0.0 110.35 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -68.95 -3.84 14.39 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -69.28 -25.48 64.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.939 0.896 . . . . 0.0 112.073 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -115.62 144.02 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.875 0.845 . . . . 0.0 111.693 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.52 143.0 28.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.133 0.973 . . . . 0.0 110.749 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 128.57 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.581 0.352 . . . . 0.0 110.387 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -152.41 172.91 15.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.212 1.005 . . . . 0.0 110.567 -170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 163.14 12.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.912 -0.493 . . . . 0.0 110.962 176.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -64.1 -37.32 87.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -75.35 -3.11 31.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -115.73 -31.29 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 111.057 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -66.03 -29.69 70.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.362 -0.836 . . . . 0.0 110.677 -170.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.84 0.856 . . . . 0.0 111.317 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -71.61 -34.23 69.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.132 0.973 . . . . 0.0 110.406 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.07 -52.66 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.319 1.047 . . . . 0.0 109.37 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -75.02 5.07 5.61 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.562 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.92 -20.82 66.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 168.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.43 19.92 1.64 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 123.896 0.76 . . . . 0.0 113.186 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.75 174.16 8.97 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.637 1.175 . . . . 0.0 111.372 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.3 p -141.04 158.57 43.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.846 0.858 . . . . 0.0 110.849 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.77 150.87 95.31 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 122.951 0.5 . . . . 0.0 111.434 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -74.53 162.4 38.1 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.067 2.511 . . . . 0.0 112.228 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 124.665 1.186 . . . . 0.0 112.334 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -116.6 121.18 40.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.835 1.654 . . . . 0.0 107.603 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.01 142.58 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -164.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -144.74 143.88 30.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.734 1.213 . . . . 0.0 111.307 -171.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 134.27 34.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 166.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -132.9 118.77 19.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.067 0.547 . . . . 0.0 110.163 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 38.6 ttpt -87.06 149.44 24.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -55.19 130.69 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.756 -168.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.19 56.27 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.135 0.874 . . . . 0.0 114.805 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.98 164.49 13.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.798 1.299 . . . . 0.0 111.659 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -130.41 159.95 35.49 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -141.22 155.42 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.546 1.938 . . . . 0.0 109.306 -172.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -134.77 140.95 46.3 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.737 0.815 . . . . 0.0 111.613 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.7 129.73 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 124.353 1.061 . . . . 0.0 109.327 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -135.56 51.78 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -122.85 3.37 9.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.692 0.797 . . . . 0.0 112.22 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -120.48 -17.73 8.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.629 0.771 . . . . 0.0 112.975 -172.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.65 136.53 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.782 0.719 . . . . 0.0 110.786 -171.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -132.85 149.33 52.27 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.737 1.215 . . . . 0.0 109.927 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -128.79 144.51 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 126.029 1.732 . . . . 0.0 108.174 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -138.02 132.87 32.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 122.809 0.444 . . . . 0.0 110.502 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.94 100.15 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.68 -32.67 68.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.582 -0.699 . . . . 0.0 111.101 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.53 178.84 36.72 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 122.702 0.192 . . . . 0.0 112.849 173.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.43 147.84 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -131.43 71.18 1.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 0.0 108.686 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 -112.54 3.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.47 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.58 13.19 25.45 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 111.711 170.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.01 156.25 17.02 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.319 1.047 . . . . 0.0 109.093 167.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.0 t -137.58 119.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.88 120.85 29.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.282 1.033 . . . . 0.0 109.789 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.71 133.72 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.324 1.05 . . . . 0.0 109.823 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 138.93 14.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -121.1 132.33 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.839 0.828 . . . . 0.0 109.541 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -133.0 75.91 1.65 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.666 -168.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.1 157.41 55.44 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.605 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -60.29 155.53 45.68 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 121.695 1.597 . . . . 0.0 109.786 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.902 0.881 . . . . 0.0 111.669 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.84 -23.96 66.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.997 1.719 . . . . 0.0 111.087 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.23 144.09 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.63 1.172 . . . . 0.0 109.828 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.54 142.03 29.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.461 0.648 . . . . 0.0 111.185 171.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.454 HG23 ' H1 ' ' G' ' 28' ' ' ' G' . 7.4 t -142.2 96.53 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.019 -166.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.08 159.38 43.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.781 0.433 . . . . 0.0 111.895 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.5 ptt-85 -66.4 159.98 25.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.037 0.535 . . . . 0.0 111.899 170.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.56 -39.54 76.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.171 0.588 . . . . 0.0 112.267 -173.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.97 -2.17 11.8 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -105.56 -51.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.143 0.977 . . . . 0.0 109.762 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -50.11 -37.52 34.43 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.968 1.307 . . . . 0.0 112.058 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.47 -21.81 62.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.7 -42.73 27.65 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.966 0.803 . . . . 0.0 110.138 169.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -38.5 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 123.315 0.646 . . . . 0.0 109.355 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -81.33 4.0 22.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.49 -18.72 44.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.282 0.633 . . . . 0.0 111.816 169.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.63 49.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.664 0 C-N-CA 123.411 0.529 . . . . 0.0 113.968 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -177.2 2.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 117.535 0.668 . . . . 0.0 112.468 -168.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 37.9 p -127.55 -175.67 3.53 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.142 1.377 . . . . 0.0 109.644 168.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 123.88 2.8 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 124.023 0.929 . . . . 0.0 111.27 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.92 168.48 7.17 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.855 2.37 . . . . 0.0 114.294 -169.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.971 1.308 . . . . 0.0 113.096 -178.475 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpp . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 110.07 19.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 167.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.06 133.54 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.156 0.983 . . . . 0.0 109.663 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.63 134.98 46.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.316 1.046 . . . . 0.0 109.686 171.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.3 p -106.97 140.67 39.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.529 0.332 . . . . 0.0 111.076 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.536 ' HE ' ' CG2' ' C' ' 22' ' ' ILE 0.275 0.0 OUTLIER -146.17 161.3 40.51 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.737 165.511 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.9 tptm -74.84 156.25 36.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.986 1.714 . . . . 0.0 109.861 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -57.97 138.98 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 118.856 0.753 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -4.98 82.57 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.708 1.147 . . . . 0.0 114.507 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.02 177.62 6.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.97 1.385 . . . . 0.0 112.971 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -139.25 156.84 46.79 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.36 1.064 . . . . 0.0 113.096 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.4 ' CD1' ' HD3' ' C' ' 6' ' ' ARG . 9.7 mt -146.35 151.48 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 126.874 2.07 . . . . 0.0 108.708 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -117.2 148.13 41.88 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.185 0.994 . . . . 0.0 111.517 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -130.94 127.79 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.68 1.192 . . . . 0.0 108.658 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.8 -134.38 51.88 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.256 -1.137 . . . . 0.0 110.256 -169.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.58 7.2 6.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.714 0.806 . . . . 0.0 111.782 168.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -111.42 -19.95 12.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.336 1.054 . . . . 0.0 112.94 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.38 139.13 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.461 0.705 . . . . 0.0 110.814 -170.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -129.37 141.37 51.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.366 1.066 . . . . 0.0 109.741 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -119.67 139.57 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.271 1.428 . . . . 0.0 108.507 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -135.83 130.19 33.57 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.886 0.474 . . . . 0.0 110.156 -174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.536 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.4 tp -85.38 122.58 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.15 -37.59 10.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.82 -173.24 43.39 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.48 -0.39 . . . . 0.0 113.877 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.31 152.24 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 C-N-CA 123.525 0.73 . . . . 0.0 110.896 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.21 93.08 2.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.008 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -126.05 10.82 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.1 -0.18 57.11 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.919 0.887 . . . . 0.0 112.139 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.84 153.23 22.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.51 0.724 . . . . 0.0 110.901 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.12 125.41 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 107.799 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -88.7 117.32 27.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -120.28 130.84 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.189 1.396 . . . . 0.0 109.032 -175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.97 139.63 14.56 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.956 0.789 . . . . 0.0 111.427 172.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -124.88 123.8 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.355 1.062 . . . . 0.0 108.497 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -121.78 92.39 3.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.374 0.669 . . . . 0.0 109.604 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.53 156.67 76.82 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.474 1.109 . . . . 0.0 109.684 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.44 150.82 83.39 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.361 2.04 . . . . 0.0 110.767 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -66.11 -0.95 2.74 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.515 0.726 . . . . 0.0 112.456 172.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.9 -23.99 66.75 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.505 1.122 . . . . 0.0 111.443 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -121.29 148.83 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.116 0.966 . . . . 0.0 110.546 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 156.95 20.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.514 0.325 . . . . 0.0 111.326 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.11 130.86 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 123.118 0.567 . . . . 0.0 109.532 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -155.91 165.38 36.66 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.308 0.643 . . . . 0.0 111.707 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -83.44 161.97 21.14 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.31 -37.03 79.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -168.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.77 -19.89 62.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mm -95.67 -35.59 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.545 0.738 . . . . 0.0 110.69 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -51.81 -36.8 49.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.287 1.035 . . . . 0.0 112.375 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.91 -28.53 66.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.817 0.847 . . . . 0.0 112.634 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -68.65 -39.08 80.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.346 0.658 . . . . 0.0 111.776 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.54 -20.91 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -94.73 2.11 55.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.511 1.124 . . . . 0.0 112.839 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.56 4.01 5.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.87 26.19 3.38 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.002 0.811 . . . . 0.0 112.971 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.1 -3.84 28.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.74 0.816 . . . . 0.0 112.868 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 27.3 p -66.99 -16.79 64.58 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.289 1.036 . . . . 0.0 112.591 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.28 138.2 31.24 Favored Pre-proline 0 N--CA 1.452 -0.354 0 C-N-CA 124.179 0.991 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -66.46 174.99 5.52 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.832 2.355 . . . . 0.0 113.054 172.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.49 177.24 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.76 117.03 33.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.01 0.924 . . . . 0.0 109.314 170.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -101.21 137.87 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.82 142.56 30.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.025 1.33 . . . . 0.0 108.768 -169.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.61 121.08 44.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -131.16 127.92 39.0 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.486 -0.292 . . . . 0.0 110.924 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.29 154.31 41.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.358 0.526 . . . . 0.0 110.367 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.64 135.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.191 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.84 -2.55 82.27 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.476 1.036 . . . . 0.0 114.214 178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -95.79 171.04 8.9 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.005 1.403 . . . . 0.0 112.001 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -128.38 156.6 42.87 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -168.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -141.48 160.24 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 127.566 2.346 . . . . 0.0 108.8 -173.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -140.99 150.72 43.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.14 138.71 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.76 1.224 . . . . 0.0 109.126 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.03 -137.55 50.35 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.35 7.96 9.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.176 0.99 . . . . 0.0 111.761 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -133.88 -11.71 2.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.17 138.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 118.777 0.717 . . . . 0.0 110.802 -171.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -122.53 146.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.506 1.123 . . . . 0.0 109.689 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.98 143.78 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.77 1.628 . . . . 0.0 107.64 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -142.15 132.16 24.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.666 -0.646 . . . . 0.0 110.099 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -87.65 93.57 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.19 -31.99 70.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.088 0.555 . . . . 0.0 111.116 -169.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -172.11 42.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 121.424 0.458 . . . . 0.0 112.913 170.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 132.63 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.17 1.388 . . . . 0.0 109.804 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -141.09 88.94 2.2 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.035 0.934 . . . . 0.0 109.568 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -121.9 10.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.437 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -97.09 -12.01 23.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.655 0.782 . . . . 0.0 110.889 174.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -74.37 145.13 44.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 169.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.64 132.45 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -100.63 111.24 23.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.073 1.349 . . . . 0.0 108.657 -169.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.421 HG13 HH12 ' C' ' 6' ' ' ARG . 2.1 mt -125.45 128.15 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.073 -168.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.34 138.61 14.19 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.71 139.74 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.264 1.026 . . . . 0.0 108.343 172.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.04 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.67 156.08 59.12 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.622 1.169 . . . . 0.0 109.639 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -61.04 150.14 85.64 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.002 1.801 . . . . 0.0 110.57 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.69 -1.17 6.33 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.01 -23.18 66.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.736 1.215 . . . . 0.0 111.401 168.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.11 160.01 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.187 0.995 . . . . 0.0 110.726 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 157.11 16.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.532 0.733 . . . . 0.0 112.183 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.45 122.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 O-C-N 121.874 -0.516 . . . . 0.0 110.311 168.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -148.73 157.05 43.17 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -64.0 160.26 18.29 Favored 'General case' 0 C--O 1.227 -0.102 0 O-C-N 121.788 -0.57 . . . . 0.0 110.731 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.26 -34.31 76.29 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.325 0.512 . . . . 0.0 111.819 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.32 -51.53 66.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 111.29 170.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -72.59 -40.48 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.256 1.022 . . . . 0.0 110.205 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.9 -39.04 62.42 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.479 1.512 . . . . 0.0 111.9 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.97 -22.93 63.15 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.36 1.064 . . . . 0.0 112.966 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.62 -41.49 45.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.623 0.769 . . . . 0.0 110.566 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.9 mp -73.19 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 C-N-CA 125.286 1.434 . . . . 0.0 109.934 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.14 0.04 57.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.06 -47.23 3.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.309 1.044 . . . . 0.0 112.507 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.43 6.29 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.878 173.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.54 171.22 0.29 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.822 1.649 . . . . 0.0 112.722 166.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.19 -12.05 0.26 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 166.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . 0.443 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -128.32 -25.91 0.04 OUTLIER Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . 0.443 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 75.5 Cg_exo -60.03 117.96 4.78 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.157 2.571 . . . . 0.0 112.546 173.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 CA--C 1.529 0.149 0 C-N-CA 126.597 1.959 . . . . 0.0 115.077 174.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt -100.91 119.98 39.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.909 0.484 . . . . 0.0 111.526 -167.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.39 138.07 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.302 1.041 . . . . 0.0 109.728 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -134.22 165.04 26.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.849 1.66 . . . . 0.0 110.817 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.68 98.22 4.27 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 168.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.01 131.18 52.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.623 1.569 . . . . 0.0 111.757 -168.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -81.43 157.66 24.87 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.61 0.243 . . . . 0.0 111.624 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -60.72 136.41 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.042 0.448 . . . . 0.0 111.533 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.09 -3.27 84.4 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.13 0.872 . . . . 0.0 114.241 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -94.26 167.15 11.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.734 1.267 . . . . 0.0 111.5 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -129.64 159.51 36.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -137.9 157.77 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.798 2.039 . . . . 0.0 108.186 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -136.52 148.7 47.75 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.432 -0.793 . . . . 0.0 112.829 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -137.5 138.44 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.669 1.188 . . . . 0.0 109.151 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.82 -136.75 50.95 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.29 10.03 6.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.819 0.848 . . . . 0.0 112.489 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.86 -11.59 4.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.2 136.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 119.212 0.915 . . . . 0.0 111.197 -169.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -127.43 143.18 51.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -123.61 143.77 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.304 1.441 . . . . 0.0 108.026 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -138.94 128.47 24.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.785 0.434 . . . . 0.0 109.9 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.2 105.95 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 169.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.86 -33.44 60.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.763 -0.586 . . . . 0.0 110.441 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -178.23 37.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 113.872 0.309 . . . . 0.0 113.872 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.1 151.51 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.688 0.795 . . . . 0.0 111.789 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -141.77 89.85 2.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.913 1.285 . . . . 0.0 108.815 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -112.43 5.0 Favored Glycine 0 CA--C 1.526 0.754 0 O-C-N 121.763 -0.585 . . . . 0.0 111.921 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -89.88 -25.68 20.86 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.58 0.69 . . . . 0.0 111.666 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -72.9 147.29 45.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.234 0.614 . . . . 0.0 110.048 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.81 120.65 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -82.23 114.46 20.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.34 0.656 . . . . 0.0 109.471 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.74 124.51 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.706 0.802 . . . . 0.0 110.001 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.55 140.76 15.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.297 0.951 . . . . 0.0 111.418 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -133.89 127.95 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 109.064 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -131.17 98.98 4.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 156.22 75.94 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.767 1.227 . . . . 0.0 110.018 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.36 157.85 33.92 Favored 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 122.613 2.208 . . . . 0.0 111.849 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -67.73 -0.99 4.58 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.49 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.96 -24.92 67.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.077 1.351 . . . . 0.0 111.909 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.71 155.11 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.118 0.967 . . . . 0.0 110.84 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.34 155.1 20.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.408 170.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.27 125.83 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.795 0.438 . . . . 0.0 110.394 169.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -152.03 169.18 22.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.343 1.057 . . . . 0.0 110.039 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 30.8 ptt-85 -76.56 164.47 25.91 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.626 -0.671 . . . . 0.0 110.301 169.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.13 -27.57 68.49 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.88 0.472 . . . . 0.0 112.148 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.5 -43.04 93.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.342 1.057 . . . . 0.0 112.374 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -86.56 -33.34 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.849 0.86 . . . . 0.0 110.279 -171.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -53.78 -34.82 60.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.242 1.017 . . . . 0.0 112.483 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -65.76 -24.69 67.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.547 0.739 . . . . 0.0 112.606 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -74.44 -22.99 58.86 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.457 0.703 . . . . 0.0 110.948 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 80.8 mt -98.16 -33.31 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.358 1.463 . . . . 0.0 110.013 -172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -81.08 3.08 24.56 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.528 0.731 . . . . 0.0 112.964 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -5.44 8.55 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.16 1.171 . . . . 0.0 114.16 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.4 39.53 0.47 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 118.684 0.674 . . . . 0.0 113.593 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.97 -39.67 0.08 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -169.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m 45.07 44.52 8.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.23 1.412 . . . . 0.0 112.851 -169.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.5 3.25 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.846 174.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.45 171.78 4.02 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.583 2.189 . . . . 0.0 113.298 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.454 -0.232 0 C-N-CA 124.886 1.274 . . . . 0.0 113.13 -177.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.099 0.037 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.91 150.79 20.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.678 0.391 . . . . 0.0 111.35 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.26 121.57 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.51 153.14 25.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.884 1.674 . . . . 0.0 108.98 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 104.67 10.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 168.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.69 127.54 55.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.95 1.3 . . . . 0.0 110.19 -169.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.8 164.99 13.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 119.46 1.027 . . . . 0.0 112.705 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -59.25 136.33 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.091 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.57 -4.78 76.67 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.25 0.929 . . . . 0.0 114.173 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -97.55 169.51 9.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.72 1.26 . . . . 0.0 111.745 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -133.77 158.13 44.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -169.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 50.4 mt -136.93 150.37 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 126.065 1.746 . . . . 0.0 108.819 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -122.52 148.83 44.71 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.548 0.739 . . . . 0.0 111.808 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -135.64 137.52 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.736 1.214 . . . . 0.0 109.233 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.94 -136.24 50.11 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -120.26 3.09 10.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.758 0.823 . . . . 0.0 112.335 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.91 -13.83 1.42 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.52 134.63 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 119.122 0.873 . . . . 0.0 110.462 -174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -128.65 142.07 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.916 0.886 . . . . 0.0 110.373 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -121.18 143.15 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.954 1.702 . . . . 0.0 108.091 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 44.0 m -137.11 130.38 31.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.094 0.558 . . . . 0.0 109.907 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.37 109.29 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.53 -27.77 34.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.142 0.577 . . . . 0.0 111.116 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.67 -175.37 35.0 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 123.3 0.476 . . . . 0.0 113.157 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.08 153.68 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.363 0.665 . . . . 0.0 111.415 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -146.38 89.84 1.89 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.368 1.067 . . . . 0.0 108.721 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.61 -121.98 28.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -171.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.86 -22.01 40.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.3 145.21 39.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.442 0.639 . . . . 0.0 110.494 175.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.23 118.94 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -85.94 127.17 34.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.37 140.64 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.902 0.881 . . . . 0.0 109.925 -169.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 142.1 17.23 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.244 0.926 . . . . 0.0 111.328 174.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.49 135.66 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 124.279 1.032 . . . . 0.0 109.554 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -129.02 109.52 11.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 109.208 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.5 157.67 76.84 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.74 0.816 . . . . 0.0 111.285 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.15 160.44 41.95 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.957 2.438 . . . . 0.0 112.318 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -64.14 -12.3 38.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.72 -15.41 61.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.798 1.239 . . . . 0.0 112.587 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.56 163.99 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.888 0.875 . . . . 0.0 111.029 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 161.49 13.77 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.244 0.618 . . . . 0.0 111.462 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -154.96 125.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.485 0.714 . . . . 0.0 110.17 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -152.92 173.71 15.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.194 0.998 . . . . 0.0 109.919 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.88 163.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.725 -0.609 . . . . 0.0 109.925 168.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.87 -29.78 69.74 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.776 0.43 . . . . 0.0 112.113 -171.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.39 -44.54 76.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.089 0.955 . . . . 0.0 111.67 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -89.65 -30.75 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.551 0.741 . . . . 0.0 110.378 -170.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -50.0 -35.44 24.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.184 0.994 . . . . 0.0 112.644 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -59.65 -21.97 61.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.087 0.955 . . . . 0.0 112.728 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -73.54 -46.74 45.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 109.644 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.88 -22.9 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.356 1.462 . . . . 0.0 110.474 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -85.3 -41.5 15.47 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 169.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.34 -31.47 9.04 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -166.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.51 -23.63 1.34 Allowed Glycine 0 CA--C 1.525 0.717 0 CA-C-N 118.869 0.759 . . . . 0.0 112.965 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.95 170.36 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.212 2.605 . . . . 0.0 113.402 169.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -98.59 -4.12 34.73 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.785 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.21 134.82 24.59 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.2 1.0 . . . . 0.0 109.931 171.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.94 178.09 1.6 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.107 2.538 . . . . 0.0 113.525 172.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.217 0 C-N-CA 124.286 1.034 . . . . 0.0 112.664 178.428 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.95 3.75 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.647 -3.053 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.527 4.327 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.669 4.469 . 0.159 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.607 3.407 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C4'-C3'-C2' 99.178 -3.522 . 0.072 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 1 O4'-C1'-N19 112.368 4.168 . 0.367 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 111.142 -2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 O5'-C5'-C4' 113.174 2.124 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-C3' 110.027 -3.649 . 0.3 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.104 2.904 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.898 -2.401 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 C5'-C4'-C3' 108.665 -4.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C4'-C3'-C2' 100.392 -2.308 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.757 3.557 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 N19-C1'-C2' 109.385 -2.51 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O4'-C1'-N19 112.304 4.104 . 0.081 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 113.449 5.249 . 0.227 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . 0.459 HO2' " H5'" ' G' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.252 2 C4'-C3'-C2' 98.221 -4.479 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . 0.459 " H5'" HO2' ' G' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.927 3.727 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 2 O4'-C1'-N19 112.618 4.418 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 C4'-C3'-C2' 100.19 -2.51 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.482 4.282 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 112.157 3.957 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 N19-C1'-C2' 108.897 -2.815 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 111.459 3.259 . 0.58 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 C5'-C4'-C3' 111.752 -2.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.454 ' H1 ' HG23 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 111.912 -2.392 . 0.086 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C5'-C4'-C3' 111.932 -2.379 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 111.852 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C4'-C3'-C2' 100.469 -2.231 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.264 3.064 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.528 4.328 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 99.227 -3.473 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 99.248 -3.452 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 112.027 3.827 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 C5'-C4'-C3' 109.32 -4.12 . 0.779 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 111.384 -2.744 . 0.242 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C5'-C4'-C3' 112.978 -1.681 . 0.394 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 O4'-C1'-N19 112.948 4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 1 C5'-C4'-C3' 108.654 -4.564 . 0.046 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.426 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.296 2 C3'-C2'-C1' 105.49 4.434 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.426 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C5'-C4'-C3' 109.965 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 O4'-C1'-N19 112.971 4.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.361 4.161 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.127 2.927 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 111.618 3.418 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.484 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.329 1 C3'-C2'-C1' 105.707 4.674 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.484 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C4'-C3'-C2' 99.76 -2.94 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C5'-C4'-C3' 111.39 -2.74 . 0.397 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.438 1 O5'-C5'-C4' 116.975 4.839 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C5'-C4'-C3' 112.274 -2.151 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.447 4.247 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 112.793 2.566 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 112.04 -2.307 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 110.858 -3.094 . 0.014 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 O4'-C1'-N19 113.288 5.088 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 112.073 3.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.639 3.439 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.526 3.326 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.964 3.848 . 0.092 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C5'-C4'-O4' 114.667 3.905 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 P-O3'-C3' 122.946 2.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 P-O3'-C3' 122.485 2.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 111.009 -2.994 . 0.166 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 C5'-C4'-C3' 105.44 -6.707 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 1 P-O3'-C3' 125.506 4.838 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 N19-C1'-C2' 108.82 -2.862 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 112.496 4.296 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.373 3.173 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.38 4.18 . 0.042 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 111.36 23.52 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.518 0.727 . . . . 0.0 109.437 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.59 133.3 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.507 0.723 . . . . 0.0 109.778 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -132.59 162.27 31.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.456 1.102 . . . . 0.0 109.761 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 129.06 47.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -175.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -126.64 165.63 18.84 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.763 0.825 . . . . 0.0 109.931 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -129.09 158.41 39.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -51.16 120.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.545 0.212 . . . . 0.0 110.826 -173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.93 -5.47 56.43 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.466 1.031 . . . . 0.0 114.53 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -93.18 170.21 9.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.84 1.32 . . . . 0.0 112.151 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -141.02 157.16 45.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 18.0 mm -119.19 155.46 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.248 1.819 . . . . 0.0 109.437 169.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -126.71 139.81 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.4 1.08 . . . . 0.0 110.617 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.49 132.72 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.162 0.985 . . . . 0.0 109.707 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.17 27.52 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.46 -3.91 6.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.941 0.896 . . . . 0.0 112.426 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -134.26 -18.7 1.99 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.3 mt -104.26 138.57 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.692 0.678 . . . . 0.0 110.501 -169.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -137.0 147.33 46.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.861 0.864 . . . . 0.0 109.499 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.88 144.08 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.633 1.173 . . . . 0.0 108.413 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -139.7 137.13 34.92 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.47 0.577 . . . . 0.0 110.551 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.97 103.5 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.81 -28.03 50.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.143 -0.348 . . . . 0.0 110.544 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.12 -178.83 42.72 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 117.921 0.328 . . . . 0.0 113.897 169.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 152.16 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.367 1.067 . . . . 0.0 110.985 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -142.62 60.99 1.43 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.576 1.15 . . . . 0.0 110.192 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -121.67 5.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.15 -17.0 53.68 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.201 0.6 . . . . 0.0 111.673 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.99 154.14 18.31 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 171.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -133.5 140.96 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.397 1.879 . . . . 0.0 108.895 -169.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -107.92 104.58 14.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.933 0.893 . . . . 0.0 110.22 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.4 mt -113.06 133.54 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.907 1.283 . . . . 0.0 109.909 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.99 141.85 16.01 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 123.899 0.761 . . . . 0.0 112.018 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.05 138.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.464 1.506 . . . . 0.0 108.432 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -127.01 75.05 1.55 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.408 1.083 . . . . 0.0 109.186 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.87 153.84 42.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.123 1.369 . . . . 0.0 110.667 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.39 155.96 55.05 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.455 2.103 . . . . 0.0 110.6 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.14 -1.31 7.45 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.9 -31.05 71.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.937 0.895 . . . . 0.0 111.245 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.4 144.01 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.844 0.83 . . . . 0.0 111.4 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.53 143.06 27.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.727 0.811 . . . . 0.0 110.704 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.71 130.71 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.582 0.353 . . . . 0.0 110.085 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.9 163.91 35.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.853 0.861 . . . . 0.0 110.87 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 162.95 21.86 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.537 171.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.47 -36.72 84.71 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 119.292 0.951 . . . . 0.0 111.817 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -64.97 -10.14 27.01 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.724 1.21 . . . . 0.0 113.804 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 7.0 mt -122.5 -9.01 8.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 124.704 1.202 . . . . 0.0 111.149 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.09 -40.2 28.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.328 -1.483 . . . . 0.0 110.664 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.9 -21.97 60.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.932 0.493 . . . . 0.0 111.832 -175.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.5 ptp180 -78.13 -34.71 49.75 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.646 0.779 . . . . 0.0 111.97 172.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.434 HG21 HE21 ' A' ' 52' ' ' GLN . 75.1 mt -62.47 -50.59 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 123.31 0.644 . . . . 0.0 109.473 170.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.434 HE21 HG21 ' A' ' 51' ' ' ILE . 66.8 mm-40 -84.08 5.06 27.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.21 66.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.986 0.357 . . . . 0.0 111.439 170.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.72 -15.8 2.0 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.268 0.937 . . . . 0.0 112.302 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.39 90.5 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 123.055 1.407 . . . . 0.0 110.655 -172.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -177.45 -41.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 113.838 -1.528 . . . . 0.0 107.379 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.86 163.76 64.82 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 126.709 2.003 . . . . 0.0 112.031 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.36 -38.3 20.75 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.285 2.657 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.437 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.463 -0.303 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.92 120.11 40.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 168.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.04 140.42 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.797 -166.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -135.69 144.49 45.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.561 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -102.25 130.77 49.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -139.08 124.7 19.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.025 0.53 . . . . 0.0 110.985 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -80.68 151.08 29.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.298 172.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 21.1 m -55.53 129.28 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.164 0.507 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.31 60.12 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 124.0 0.809 . . . . 0.0 114.885 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -91.75 160.77 15.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.894 1.347 . . . . 0.0 111.218 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.75 161.11 29.74 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -169.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -143.88 158.64 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.65 1.98 . . . . 0.0 108.972 -171.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -141.02 144.46 35.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.755 0.822 . . . . 0.0 111.927 -170.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -134.78 129.03 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.487 1.115 . . . . 0.0 109.66 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -135.74 51.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -125.28 5.06 7.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.878 0.871 . . . . 0.0 112.753 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -115.14 -22.66 9.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.74 136.54 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 119.009 0.822 . . . . 0.0 111.393 -169.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -132.18 149.19 52.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.874 1.27 . . . . 0.0 109.889 171.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -130.5 145.27 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 126.129 1.771 . . . . 0.0 108.325 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -138.57 134.44 33.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.837 0.455 . . . . 0.0 110.468 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.79 97.53 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.83 -34.26 76.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.55 -0.719 . . . . 0.0 111.253 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 165.98 -176.55 41.34 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 122.156 -0.068 . . . . 0.0 113.22 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.89 153.6 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.004 0.522 . . . . 0.0 110.615 173.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -135.9 76.44 1.61 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 108.945 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -117.77 4.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.48 9.48 43.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.015 0.526 . . . . 0.0 110.832 173.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.0 158.7 15.47 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.247 1.019 . . . . 0.0 110.523 169.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.26 119.85 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.988 1.315 . . . . 0.0 109.062 -168.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.48 124.0 38.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.699 1.2 . . . . 0.0 109.52 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.6 132.9 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.794 0.838 . . . . 0.0 110.421 -169.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.38 139.94 14.74 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.3 mt -123.5 132.46 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.932 0.893 . . . . 0.0 109.51 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -133.0 75.03 1.6 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.358 -168.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.01 157.44 50.56 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -59.82 158.4 29.06 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.086 1.857 . . . . 0.0 111.36 169.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.424 ' HB3' ' HZ2' ' B' ' 38' ' ' LYS . 2.7 mmmp? -72.1 -0.85 12.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.496 0.718 . . . . 0.0 112.61 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.99 -23.25 66.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.96 1.304 . . . . 0.0 112.035 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.6 144.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.225 1.01 . . . . 0.0 110.458 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.81 142.3 29.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.772 0.796 . . . . 0.0 111.686 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.28 96.55 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.257 -166.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.04 159.31 42.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.26 0.552 . . . . 0.0 111.686 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.6 ptt-85 -68.98 158.08 35.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.948 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -55.3 -41.78 72.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.46 0.704 . . . . 0.0 112.377 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.28 -17.33 62.39 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -94.13 -50.37 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.238 1.015 . . . . 0.0 110.511 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -50.52 -36.9 36.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.917 1.287 . . . . 0.0 112.049 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -69.83 -21.99 63.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -79.51 -41.46 27.33 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.288 0.949 . . . . 0.0 110.01 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.5 -39.72 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -81.49 5.13 18.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.28 -17.31 46.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.489 0.716 . . . . 0.0 111.869 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.54 45.76 0.1 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-O 119.644 -0.531 . . . . 0.0 114.011 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.07 -177.41 2.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.851 0.826 . . . . 0.0 112.679 -168.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -131.53 -167.35 1.85 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.176 1.391 . . . . 0.0 108.779 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.36 134.76 24.44 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 118.308 0.504 . . . . 0.0 111.162 -170.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -45.73 162.87 0.1 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 1 C-N-CA 125.55 4.167 . . . . 0.0 115.921 -178.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 125.423 1.489 . . . . 0.0 113.501 170.149 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.63 105.43 13.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 166.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.51 134.09 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.602 0.761 . . . . 0.0 109.631 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.8 mt -129.83 134.94 47.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.144 0.978 . . . . 0.0 109.347 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -90.94 148.81 22.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -146.05 141.51 27.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.012 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -94.29 147.61 23.03 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.25 134.4 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-N 119.207 0.912 . . . . 0.0 111.896 -172.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -8.6 73.8 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.958 1.266 . . . . 0.0 114.763 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -89.16 -176.91 5.28 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.491 1.646 . . . . 0.0 112.441 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -143.36 160.72 40.02 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 66.4 mt -137.57 157.77 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.452 2.301 . . . . 0.0 108.507 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -125.44 147.13 49.32 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.573 1.149 . . . . 0.0 111.428 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.14 136.64 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.648 1.179 . . . . 0.0 108.902 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.13 -138.77 44.86 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.589 -0.605 . . . . 0.0 111.589 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.54 7.41 11.8 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.109 0.963 . . . . 0.0 111.408 169.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -128.57 -13.04 4.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.013 0.925 . . . . 0.0 113.313 -169.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.21 141.23 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.646 0.657 . . . . 0.0 110.836 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -131.59 142.54 49.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.871 1.269 . . . . 0.0 109.079 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -124.75 144.1 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.547 1.139 . . . . 0.0 108.198 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -135.28 141.97 45.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.341 0.657 . . . . 0.0 110.405 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.45 120.39 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.406 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.8 mt -93.4 -40.24 10.48 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -176.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -177.41 43.54 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.894 168.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.97 149.04 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.653 0.781 . . . . 0.0 110.455 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 m -143.76 101.86 3.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.628 1.171 . . . . 0.0 108.727 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.55 24.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -169.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.56 0.18 56.51 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.912 0.885 . . . . 0.0 112.004 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -87.45 152.89 21.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 110.734 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.76 125.35 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 124.356 1.062 . . . . 0.0 108.653 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -84.64 113.52 21.33 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -119.13 134.06 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.969 1.308 . . . . 0.0 109.222 -174.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.29 141.78 15.4 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.052 0.834 . . . . 0.0 112.134 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -129.73 124.28 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 108.86 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -124.67 95.09 4.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.241 0.616 . . . . 0.0 110.174 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.77 157.24 78.38 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.29 1.036 . . . . 0.0 110.046 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -63.21 153.35 74.71 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.54 2.16 . . . . 0.0 111.162 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.73 -0.91 2.38 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.377 0.671 . . . . 0.0 112.641 171.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.86 -22.14 66.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.369 1.068 . . . . 0.0 111.249 169.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -125.27 147.36 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.195 0.998 . . . . 0.0 110.464 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.04 156.36 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.573 0.349 . . . . 0.0 111.144 174.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.25 132.79 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 169.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -153.68 164.62 37.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.151 0.581 . . . . 0.0 111.728 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 60.3 mtm-85 -78.98 155.73 28.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 166.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.54 -34.9 71.51 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.825 0.739 . . . . 0.0 111.539 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.98 -26.29 66.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.31 1.044 . . . . 0.0 113.491 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.9 mm -91.91 -37.1 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.929 0.892 . . . . 0.0 110.396 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.09 -35.09 59.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.972 1.309 . . . . 0.0 112.47 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.54 -29.2 67.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.13 -38.22 81.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.74 0.816 . . . . 0.0 111.829 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.59 -19.02 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -95.72 1.8 53.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.855 0.862 . . . . 0.0 112.634 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.21 -2.74 58.85 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.861 0.864 . . . . 0.0 113.149 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.48 6.9 60.83 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-O 119.579 -0.567 . . . . 0.0 112.855 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 57.23 -154.51 0.34 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.751 1.22 . . . . 0.0 111.089 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 34.7 p -82.03 -5.41 58.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.845 0.858 . . . . 0.0 112.47 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.4 73.77 76.62 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 112.049 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -62.02 -46.89 11.76 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.925 2.417 . . . . 0.0 112.363 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.024 0.93 . . . . 0.0 111.634 -168.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.403 ' HG2' ' CD1' ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.44 113.38 25.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.019 1.728 . . . . 0.0 109.042 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.403 ' CD1' ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -104.58 138.92 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.244 1.418 . . . . 0.0 109.215 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -131.85 166.66 21.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.951 1.3 . . . . 0.0 111.37 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.76 109.95 15.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 0.0 108.803 168.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -113.94 131.46 56.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.197 0.999 . . . . 0.0 109.701 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -77.73 157.57 30.02 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.969 0.804 . . . . 0.0 110.043 168.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -57.47 136.16 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.581 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.31 85.04 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.29 0.948 . . . . 0.0 114.127 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -96.51 176.32 6.07 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.989 1.395 . . . . 0.0 111.891 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -133.84 160.01 38.93 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -168.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -143.18 160.96 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 127.848 2.459 . . . . 0.0 108.565 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -139.76 153.02 47.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.076 0.95 . . . . 0.0 112.463 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.4 140.19 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.903 1.281 . . . . 0.0 109.127 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -136.84 50.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -124.51 9.97 8.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.115 0.966 . . . . 0.0 111.638 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.35 -10.83 2.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.76 137.93 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.78 0.718 . . . . 0.0 110.587 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -123.71 148.45 46.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.508 1.123 . . . . 0.0 109.787 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.52 141.35 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 125.402 1.481 . . . . 0.0 107.906 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -135.84 135.32 39.71 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.085 0.554 . . . . 0.0 109.664 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.24 102.34 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.12 -29.32 54.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.444 0.698 . . . . 0.0 110.899 -169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -170.54 38.78 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 122.842 0.258 . . . . 0.0 112.669 170.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.48 159.06 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.343 0.657 . . . . 0.0 110.886 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -143.54 73.37 1.39 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.015 0.926 . . . . 0.0 108.979 173.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.12 -113.43 3.66 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.83 -7.85 51.18 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.862 0.865 . . . . 0.0 110.199 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.69 157.51 25.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.129 0.966 . . . . 0.0 112.672 170.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 t -130.86 124.14 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 126.529 1.932 . . . . 0.0 106.841 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -92.63 115.58 28.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.61 127.77 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.177 0.591 . . . . 0.0 110.392 -168.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 135.05 12.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.38 138.44 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -138.08 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.057 0.543 . . . . 0.0 109.973 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.71 157.88 53.3 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.326 1.05 . . . . 0.0 110.007 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.7 151.62 84.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.185 1.923 . . . . 0.0 110.671 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.82 -1.62 7.6 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 175.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.09 -22.69 66.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.848 1.259 . . . . 0.0 111.621 168.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.51 160.02 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.191 0.996 . . . . 0.0 110.965 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.66 157.01 16.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.374 0.669 . . . . 0.0 112.616 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.28 121.98 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 122.949 0.5 . . . . 0.0 110.364 167.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -150.1 160.02 43.97 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.787 0.835 . . . . 0.0 111.501 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -63.82 159.45 19.49 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.656 169.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.56 -31.18 71.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.327 0.651 . . . . 0.0 111.64 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.35 -43.07 88.18 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 124.134 0.973 . . . . 0.0 111.945 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -86.25 -36.75 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.697 1.199 . . . . 0.0 110.422 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -52.3 -42.91 64.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.966 0.906 . . . . 0.0 110.885 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.23 -25.71 67.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -73.58 -42.33 61.73 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 118.964 0.802 . . . . 0.0 110.433 171.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.443 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 80.1 mt -69.47 -32.87 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.442 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 2.03 38.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.981 0.912 . . . . 0.0 110.784 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.27 -6.32 59.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.532 1.133 . . . . 0.0 112.625 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 46.18 0.55 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.671 0.653 . . . . 0.0 113.481 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.0 pp -158.13 173.47 16.67 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.137 0.975 . . . . 0.0 111.191 -171.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 41.1 m -100.79 -50.16 3.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.657 0.383 . . . . 0.0 111.647 169.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . 0.661 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -160.92 -17.14 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.272 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 171.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . 0.661 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 45.1 Cg_exo -69.86 -169.21 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 CA-C-N 121.318 1.506 . . . . 0.0 113.263 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.428 1.091 . . . . 0.0 112.736 -178.186 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ttt . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt -131.96 125.84 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.602 1.161 . . . . 0.0 109.44 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mm -108.11 140.99 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.345 1.058 . . . . 0.0 110.019 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 44.7 mt -138.63 162.55 34.32 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.071 1.349 . . . . 0.0 111.302 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.98 106.2 6.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 166.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -118.79 141.71 48.38 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.918 1.287 . . . . 0.0 110.221 -173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -100.43 168.82 9.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -59.02 136.11 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.396 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.88 -6.88 81.82 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.213 0.911 . . . . 0.0 114.302 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -91.08 168.1 11.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.743 1.272 . . . . 0.0 111.477 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -135.12 159.94 39.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -143.02 157.56 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.52 1.928 . . . . 0.0 107.913 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.84 149.23 47.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.94 141.39 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.847 1.259 . . . . 0.0 108.899 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -133.89 52.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -173.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -126.49 4.87 6.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.906 0.882 . . . . 0.0 111.501 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -133.82 -4.41 2.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.917 0.887 . . . . 0.0 113.381 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.34 136.42 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.764 0.711 . . . . 0.0 110.739 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -128.78 141.79 51.2 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.463 1.105 . . . . 0.0 109.9 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -121.81 140.08 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 125.298 1.439 . . . . 0.0 108.183 176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -137.06 126.2 24.56 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.021 0.529 . . . . 0.0 110.021 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.28 112.26 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 169.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.48 -33.54 48.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.491 0.317 . . . . 0.0 110.543 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 -175.39 36.51 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.101 0.382 . . . . 0.0 113.568 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.64 155.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 C-N-CA 123.488 0.715 . . . . 0.0 112.39 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -145.64 89.97 1.96 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.436 1.494 . . . . 0.0 109.212 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.41 -114.58 4.74 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.656 -0.653 . . . . 0.0 111.927 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -87.98 -18.61 28.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.718 0.759 . . . . 0.0 111.18 171.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.93 150.93 30.37 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.03 0.919 . . . . 0.0 111.041 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -144.46 110.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -86.39 124.61 32.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.42 133.06 57.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.048 0.539 . . . . 0.0 110.851 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.96 143.93 16.97 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.381 0.991 . . . . 0.0 111.918 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.95 124.81 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.257 1.423 . . . . 0.0 108.846 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -125.5 100.22 6.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.163 0.585 . . . . 0.0 109.742 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.25 155.66 72.27 Favored Pre-proline 0 N--CA 1.452 -0.36 0 C-N-CA 124.428 1.091 . . . . 0.0 110.495 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.64 158.88 34.88 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.708 2.272 . . . . 0.0 111.902 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -69.05 -0.77 6.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.41 0.684 . . . . 0.0 112.591 169.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -22.88 67.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.957 1.303 . . . . 0.0 111.562 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.86 156.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.178 0.991 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.0 157.3 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.764 0.426 . . . . 0.0 111.729 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.95 125.0 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.249 169.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -150.56 167.0 28.53 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.128 0.971 . . . . 0.0 110.865 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -66.51 154.52 40.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -58.24 -24.63 59.94 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.84 0.456 . . . . 0.0 111.708 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.99 -48.51 73.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.611 1.164 . . . . 0.0 111.795 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.49 -32.06 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.158 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -55.58 -34.79 65.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.452 0.701 . . . . 0.0 112.179 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.45 -23.51 61.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.12 -23.06 62.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.071 0.549 . . . . 0.0 110.581 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.99 -46.47 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 C-N-CA 124.032 0.933 . . . . 0.0 109.458 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -71.8 3.0 4.56 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -25.16 66.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.609 0.764 . . . . 0.0 112.439 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.54 30.25 0.03 OUTLIER Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.429 -0.65 . . . . 0.0 114.363 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.09 -179.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.175 0.987 . . . . 0.0 111.604 -169.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.3 m -125.64 -22.71 4.19 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.206 0.602 . . . . 0.0 111.647 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.61 132.0 24.24 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.12 0.968 . . . . 0.0 110.257 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -63.62 177.62 1.65 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.203 2.602 . . . . 0.0 114.165 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.453 -0.309 0 C-N-CA 124.617 1.167 . . . . 0.0 112.378 -178.645 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.16 148.08 23.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 122.056 -0.402 . . . . 0.0 111.564 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.47 134.58 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.27 162.66 25.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 109.77 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.57 97.03 4.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.529 0.681 . . . . 0.0 109.559 169.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -104.91 162.11 13.62 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.097 1.359 . . . . 0.0 110.396 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -117.05 172.15 7.46 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -56.37 136.23 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.506 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.06 -4.52 81.35 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.328 0.966 . . . . 0.0 114.777 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -90.04 170.15 10.58 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.906 1.353 . . . . 0.0 112.297 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -137.79 153.92 49.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -127.06 154.78 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 126.613 1.965 . . . . 0.0 108.431 174.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -121.68 148.13 44.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.618 0.767 . . . . 0.0 111.673 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -133.67 144.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.676 1.19 . . . . 0.0 108.943 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.29 -132.17 51.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.43 7.82 7.05 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.626 0.77 . . . . 0.0 111.785 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -139.34 -14.01 1.14 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -101.74 138.12 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.966 0.803 . . . . 0.0 110.291 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -127.21 142.52 51.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.131 0.973 . . . . 0.0 110.321 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -122.47 139.69 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 125.249 1.42 . . . . 0.0 108.321 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.2 m -135.84 137.57 41.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.697 0.799 . . . . 0.0 110.3 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.58 109.22 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.74 -32.57 52.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.116 -0.365 . . . . 0.0 110.523 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.66 -174.89 37.39 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 122.885 0.279 . . . . 0.0 113.515 169.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -117.85 159.64 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.573 0.749 . . . . 0.0 112.117 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.05 90.09 1.65 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.55 1.14 . . . . 0.0 109.039 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.44 -102.97 1.25 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 121.88 -0.512 . . . . 0.0 111.997 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -99.81 -19.64 16.59 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.475 0.637 . . . . 0.0 112.001 171.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -74.61 145.11 43.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.348 0.594 . . . . 0.0 110.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -137.23 112.73 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -174.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -88.16 125.3 34.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.298 0.639 . . . . 0.0 109.658 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.34 142.25 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.419 1.088 . . . . 0.0 110.122 -168.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.39 140.4 16.31 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 123.962 0.791 . . . . 0.0 111.359 170.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mt -127.72 136.13 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.365 1.066 . . . . 0.0 109.312 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -131.52 107.4 8.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.549 0.74 . . . . 0.0 109.504 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.11 158.09 76.48 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.935 0.894 . . . . 0.0 111.579 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.48 162.35 37.05 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.148 2.565 . . . . 0.0 112.357 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -66.05 -15.85 63.41 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.012 0.925 . . . . 0.0 112.198 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -18.46 65.32 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.889 1.276 . . . . 0.0 112.468 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.01 163.1 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.727 0.811 . . . . 0.0 110.974 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.52 161.94 14.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.506 171.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.09 126.61 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.016 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -155.03 171.58 19.51 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.823 0.849 . . . . 0.0 110.562 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -73.29 161.85 30.03 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 167.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.52 -25.59 68.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.906 -0.496 . . . . 0.0 112.214 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.74 -43.41 80.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -90.91 -29.82 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.419 0.688 . . . . 0.0 110.127 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -52.5 -29.52 25.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.737 0.815 . . . . 0.0 113.025 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.39 -21.83 64.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.558 1.143 . . . . 0.0 112.644 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -79.48 -22.58 43.86 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.831 2.053 . . . . 0.0 112.811 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -85.72 -63.06 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 O-C-N 121.131 -0.981 . . . . 0.0 111.868 -168.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.05 23.56 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -168.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 3.95 2.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 172.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.9 36.98 3.53 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.392 0.996 . . . . 0.0 111.879 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 23.4 mt -132.2 -55.78 0.97 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.254 0.622 . . . . 0.0 112.594 -166.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 58.43 5.3 0.42 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 126.658 1.983 . . . . 0.0 113.976 -169.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.74 130.68 6.79 Favored Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 124.034 0.933 . . . . 0.0 109.715 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.06 -42.57 65.17 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.245 2.63 . . . . 0.0 113.338 173.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 N--CA 1.453 -0.306 0 C-N-CA 123.561 0.744 . . . . 0.0 110.258 -168.881 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 110.888 -3.075 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.241 3.041 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 1 O4'-C1'-N19 112.794 4.594 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 O4'-C1'-N19 112.429 4.229 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.024 2.824 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-O4' 114.508 3.792 . 0.046 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 1 C5'-C4'-C3' 108.902 -4.399 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C3'-C2'-C1' 103.86 2.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.375 0 O5'-C5'-C4' 113.407 2.29 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 110.021 -3.652 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 O4'-C1'-N19 111.484 3.284 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C4'-C3' 108.154 1.896 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 C5'-C4'-C3' 108.309 -4.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C4'-C3'-C2' 100.28 -2.42 . 0.446 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.794 3.594 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 O4'-C1'-N19 110.948 2.748 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 116.318 8.118 . 0.498 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C4'-C3' 108.246 1.962 . 0.349 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . 0.441 HO2' " H5'" ' G' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 111.93 3.73 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . 0.441 " H5'" HO2' ' G' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.41 4.21 . 0.627 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 1 O4'-C1'-N19 112.305 4.105 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-O4' 113.346 2.961 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 O4'-C1'-N19 112.692 4.492 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 O4'-C1'-N19 112.246 4.046 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 N19-C1'-C2' 108.759 -2.901 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 111.498 3.298 . 0.585 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 111.976 -2.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C5'-C4'-C3' 112.455 -2.03 . 0.068 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 111.187 -2.875 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.422 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 C5'-C4'-C3' 109.498 -4.002 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.422 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 P-O3'-C3' 125.304 4.67 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.383 3.183 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.522 4.322 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 99.208 -3.492 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C4'-C3'-C2' 99.461 -3.239 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 O4'-C1'-N19 111.646 3.446 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 110.864 -3.091 . 0.113 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 O4'-C1'-N19 110.766 2.566 . 0.01 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C3'-C2'-C1' 104.215 3.017 . 0.204 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 113.041 4.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 C5'-C4'-C3' 109.002 -4.332 . 0.034 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 O4'-C1'-N19 112.436 4.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 111.54 3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 112.017 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.243 4.043 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.4 -3.3 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 O4'-C1'-N19 111.464 3.264 . 0.247 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.477 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.384 1 C3'-C2'-C1' 105.478 4.421 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.477 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 110.95 2.75 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 111.193 2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 0 C5'-C4'-C3' 111.737 -2.509 . 0.453 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.394 1 O5'-C5'-C4' 117.605 5.29 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-C3' 112.284 -2.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.337 4.137 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C5'-C4'-C3' 111.911 -2.393 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.121 2.921 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 1 O4'-C1'-N19 112.733 4.533 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C5'-C4'-C3' 111.764 -2.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 112.124 3.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 111.396 3.196 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.4 3.2 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.444 3.244 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.481 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C3'-C2'-C1' 104.17 2.967 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.481 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.571 -3.129 . 0.071 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C3'-C2'-C1' 104.061 2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C5'-C4'-C3' 110.997 -3.002 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.406 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.177 1 C3'-C2'-C1' 97.315 -4.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C4'-C3'-C2' 100.017 -2.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 111.56 -2.627 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 1 O4'-C1'-N19 112.281 4.081 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.095 2.895 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 113.463 5.263 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.082 -0.485 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.52 112.32 24.67 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.51 0.724 . . . . 0.0 109.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.63 135.15 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.828 0.851 . . . . 0.0 109.921 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.8 mt -132.26 156.45 46.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 109.609 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -117.86 100.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.91 138.85 49.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.845 0.858 . . . . 0.0 110.64 -168.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -103.13 157.05 17.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.627 0.371 . . . . 0.0 110.44 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.53 122.94 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.667 0.787 . . . . 0.0 110.894 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.27 -2.29 65.39 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.177 0.894 . . . . 0.0 113.989 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -98.4 165.17 11.97 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.494 1.147 . . . . 0.0 111.415 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -132.94 157.85 44.09 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mm -116.5 160.55 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.654 1.981 . . . . 0.0 108.491 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -131.48 137.82 48.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.528 1.131 . . . . 0.0 109.94 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -130.76 132.21 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.06 0.944 . . . . 0.0 109.225 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -131.98 36.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -122.92 -0.65 8.98 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -131.99 -21.78 2.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mt -100.64 140.38 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 118.774 0.716 . . . . 0.0 110.704 -170.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -131.62 138.19 48.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.448 1.099 . . . . 0.0 109.402 172.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -119.77 139.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.326 1.05 . . . . 0.0 108.227 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.4 m -135.61 131.63 36.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.849 0.75 . . . . 0.0 110.061 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.98 97.26 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.85 -31.89 68.75 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.813 -0.554 . . . . 0.0 110.689 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.62 -177.2 44.56 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 113.795 0.278 . . . . 0.0 113.795 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.22 152.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -137.19 60.98 1.63 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.497 1.119 . . . . 0.0 109.612 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.29 -120.86 5.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.45 -11.85 58.24 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.557 0.743 . . . . 0.0 112.003 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -98.99 150.52 21.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.922 0.868 . . . . 0.0 112.167 171.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -127.31 138.59 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.745 2.018 . . . . 0.0 108.151 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm105 -119.21 107.6 13.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.344 0.592 . . . . 0.0 110.698 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.7 mt -111.99 135.72 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.53 1.532 . . . . 0.0 109.269 -170.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.05 138.45 13.9 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 123.691 0.662 . . . . 0.0 111.558 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -111.75 131.48 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.16 1.384 . . . . 0.0 108.111 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -121.29 74.97 1.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.226 1.01 . . . . 0.0 109.23 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.75 155.2 40.24 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.665 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 154.26 59.94 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.394 2.062 . . . . 0.0 110.473 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -68.87 -4.34 16.0 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -68.7 -25.67 64.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.87 0.868 . . . . 0.0 112.032 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.35 143.96 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.935 0.874 . . . . 0.0 111.9 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.95 27.43 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.329 1.052 . . . . 0.0 110.749 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.98 129.56 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.913 0.485 . . . . 0.0 110.053 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -150.16 158.5 44.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.009 0.524 . . . . 0.0 111.715 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -69.63 160.7 31.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.154 0.582 . . . . 0.0 110.471 169.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.78 -38.78 89.31 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -78.52 1.55 22.04 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.0 -11.22 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.862 1.265 . . . . 0.0 111.034 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -79.49 -35.45 40.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 120.377 -1.452 . . . . 0.0 110.384 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.72 -9.93 59.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.197 0.599 . . . . 0.0 112.274 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -21.88 28.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.093 1.357 . . . . 0.0 110.96 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.407 ' HA ' HD11 ' A' ' 55' ' ' LEU . 72.8 mt -82.42 -48.03 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.324 1.45 . . . . 0.0 108.642 175.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.82 5.18 26.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.682 . . . . 0.0 112.799 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.582 0.753 . . . . 0.0 111.673 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.03 36.92 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.007 0.337 . . . . 0.0 112.843 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 51' ' ' ILE . 7.3 mt -125.2 178.1 5.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.472 1.509 . . . . 0.0 108.198 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p 64.63 147.27 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.435 1.894 . . . . 0.0 114.055 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.99 154.49 48.4 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.958 0.903 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.29 164.08 33.5 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.409 2.739 . . . . 0.0 111.84 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.495 1.118 . . . . 0.0 111.377 173.603 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.669 -0.205 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.36 120.73 40.6 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.266 1.427 . . . . 0.0 107.228 169.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 64.5 mt -116.28 132.77 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 112.013 -165.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.4 mt -136.37 142.54 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.771 1.228 . . . . 0.0 110.662 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -107.88 128.89 55.02 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.293 0.637 . . . . 0.0 109.747 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -130.58 126.45 36.74 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.85 1.26 . . . . 0.0 110.604 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -75.25 153.05 38.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.631 167.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -57.19 125.75 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.503 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.69 -8.8 58.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 118.885 -0.953 . . . . 0.0 115.242 -173.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -87.71 169.7 11.88 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.318 1.559 . . . . 0.0 111.647 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -141.32 158.14 44.27 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -168.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -133.4 154.68 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 127.148 2.179 . . . . 0.0 108.642 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 144.3 50.87 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.522 1.129 . . . . 0.0 110.846 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -133.44 129.88 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.527 1.131 . . . . 0.0 109.417 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.85 51.59 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -124.6 4.97 8.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.849 0.86 . . . . 0.0 112.632 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.5 -21.79 10.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.51 138.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 118.982 0.81 . . . . 0.0 111.481 -169.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -134.47 149.04 50.68 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.96 1.304 . . . . 0.0 110.029 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mm -129.91 139.48 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.815 1.646 . . . . 0.0 108.449 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -135.91 129.13 31.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.256 0.623 . . . . 0.0 110.322 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.75 109.77 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 169.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.56 -33.08 54.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.022 -0.424 . . . . 0.0 110.816 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.08 178.3 35.85 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 122.563 0.125 . . . . 0.0 112.992 171.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -111.02 152.47 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.134 0.492 . . . . 0.0 110.78 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -133.39 78.14 1.76 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.629 1.172 . . . . 0.0 108.695 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -115.97 4.75 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.09 6.43 44.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 151.32 21.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.206 1.002 . . . . 0.0 110.072 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.11 116.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.55 116.65 23.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.423 1.089 . . . . 0.0 109.514 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.44 131.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.397 1.079 . . . . 0.0 109.851 -169.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.48 139.33 14.48 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.16 131.2 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.849 0.833 . . . . 0.0 109.22 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.17 78.18 1.8 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.6 -167.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.08 157.04 65.2 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 109.287 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' B' ' 39' ' ' ASP . 32.3 Cg_endo -58.72 154.54 42.66 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.724 1.616 . . . . 0.0 109.634 168.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -0.63 11.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.792 0.806 . . . . 0.0 110.908 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.0 OUTLIER -66.01 -26.19 67.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.267 1.827 . . . . 0.0 111.261 172.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -108.02 144.05 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.369 1.068 . . . . 0.0 109.966 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.469 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.11 141.57 29.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 111.374 170.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.421 HG22 ' H1 ' ' G' ' 28' ' ' ' G' . 11.7 t -143.18 97.54 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.322 -166.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.469 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -149.23 161.61 41.67 Favored 'General case' 0 N--CA 1.458 -0.045 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -69.45 161.08 30.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.011 0.924 . . . . 0.0 111.833 170.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.29 -46.37 69.31 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 123.617 0.767 . . . . 0.0 112.727 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.93 -14.83 62.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -93.34 -50.1 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.371 0.669 . . . . 0.0 110.495 170.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -47.49 -42.94 23.96 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 111.218 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.72 -15.3 62.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.794 1.238 . . . . 0.0 114.262 -169.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -89.06 -33.2 17.21 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.257 0.935 . . . . 0.0 112.033 172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.87 -62.08 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.119 0.967 . . . . 0.0 112.565 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 2.38 2.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.652 -0.655 . . . . 0.0 112.552 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.16 -20.18 60.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.332 0.653 . . . . 0.0 111.991 169.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.33 31.68 0.06 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.174 -0.792 . . . . 0.0 114.839 169.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -168.48 -172.98 1.82 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.448 1.124 . . . . 0.0 112.656 -167.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -133.96 -167.7 2.0 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.753 1.221 . . . . 0.0 109.569 168.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 126.4 4.48 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.729 0.812 . . . . 0.0 111.438 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.88 147.96 30.84 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.907 3.072 . . . . 0.0 114.01 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t0 . . . . . 0 N--CA 1.455 -0.202 0 C-N-CA 125.216 1.406 . . . . 0.0 112.881 173.031 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.31 106.55 14.46 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 167.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.49 134.71 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.72 0.808 . . . . 0.0 109.23 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -128.7 134.94 48.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.269 0.628 . . . . 0.0 109.497 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -99.43 134.18 42.67 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.164 0.985 . . . . 0.0 110.367 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 160.99 41.11 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.544 167.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -85.09 160.22 20.02 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.49 1.116 . . . . 0.0 109.428 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.72 138.91 19.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 O-C-N 121.708 -0.62 . . . . 0.0 111.63 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.58 83.53 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.673 1.13 . . . . 0.0 114.467 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.69 -175.95 4.82 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.429 1.615 . . . . 0.0 112.922 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.55 151.41 47.29 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 124.561 1.144 . . . . 0.0 113.141 -166.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.82 150.85 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 108.855 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.52 147.55 45.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.543 1.137 . . . . 0.0 111.923 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -132.72 129.38 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.44 1.096 . . . . 0.0 108.706 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.65 -139.55 42.28 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.01 10.01 10.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.077 0.951 . . . . 0.0 111.915 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -116.77 -19.4 9.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.254 1.021 . . . . 0.0 113.026 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.01 139.67 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.798 0.726 . . . . 0.0 111.126 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -129.44 141.85 50.93 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.487 1.115 . . . . 0.0 109.566 172.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.94 135.31 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.925 1.29 . . . . 0.0 108.384 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -122.58 141.73 51.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.875 0.87 . . . . 0.0 110.054 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -101.95 116.16 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.438 HD13 " H1'" ' G' ' 67' ' ' ' C' . 4.1 mt -89.74 -39.33 13.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -175.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -177.75 42.24 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.594 -0.336 . . . . 0.0 113.749 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.01 148.58 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.315 0.646 . . . . 0.0 110.906 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -147.26 112.58 5.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.964 1.306 . . . . 0.0 108.114 170.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.47 -142.02 29.56 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.441 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.86 5.27 29.51 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.365 0.666 . . . . 0.0 110.952 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.97 144.78 25.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.934 1.694 . . . . 0.0 110.715 -174.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.14 119.91 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -81.88 115.47 21.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.484 0.584 . . . . 0.0 109.523 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -116.99 127.01 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.272 1.429 . . . . 0.0 109.509 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.35 141.21 17.3 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.074 1.321 . . . . 0.0 111.86 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.61 132.16 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.91 92.04 2.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.334 0.653 . . . . 0.0 109.482 -173.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.22 154.7 80.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.031 0.932 . . . . 0.0 110.033 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.02 151.48 81.3 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.438 2.092 . . . . 0.0 110.895 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.33 -1.06 3.02 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.43 0.692 . . . . 0.0 112.446 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -23.64 66.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.473 1.109 . . . . 0.0 111.426 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.61 147.5 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.081 0.953 . . . . 0.0 110.544 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.07 155.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.187 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.0 130.27 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 169.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -153.94 162.19 41.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.038 0.535 . . . . 0.0 111.691 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -81.42 160.37 24.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 166.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.89 -36.3 76.66 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -168.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.36 -21.27 62.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -93.99 -36.11 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.406 0.683 . . . . 0.0 110.636 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -51.68 -36.32 46.07 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.153 0.981 . . . . 0.0 112.492 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.93 -30.24 67.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.744 0.818 . . . . 0.0 112.481 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -67.87 -38.06 82.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.542 0.737 . . . . 0.0 111.77 174.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.13 -19.58 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -95.06 1.59 55.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.978 0.911 . . . . 0.0 112.68 173.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.35 -2.05 58.38 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.792 0.837 . . . . 0.0 113.226 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.18 5.15 60.86 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.054 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 59.89 -172.23 0.12 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.704 1.601 . . . . 0.0 112.262 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.2 t -78.76 149.04 32.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.953 -0.467 . . . . 0.0 110.973 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.57 71.36 1.48 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.259 1.424 . . . . 0.0 113.409 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.66 147.48 91.78 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.022 2.481 . . . . 0.0 112.534 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 CA--C 1.528 0.119 0 C-N-CA 126.595 1.958 . . . . 0.0 116.037 168.533 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.75 107.28 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.79 140.3 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.383 1.073 . . . . 0.0 108.898 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.77 158.91 38.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 110.858 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 109.87 21.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 165.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.4 130.87 55.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.521 0.329 . . . . 0.0 110.6 -177.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -77.04 153.35 34.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.283 170.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -57.95 136.54 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -3.82 85.89 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.004 -0.886 . . . . 0.0 114.205 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.47 168.49 12.15 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.951 1.376 . . . . 0.0 111.836 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -126.79 155.59 42.58 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 112.818 -169.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -140.14 161.08 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 126.961 2.104 . . . . 0.0 108.472 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -141.5 151.31 43.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.154 0.981 . . . . 0.0 111.955 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -134.86 138.27 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 109.087 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -135.39 52.02 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -124.45 8.95 8.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.054 0.942 . . . . 0.0 111.807 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.67 -11.27 2.72 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.57 137.23 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 118.736 0.698 . . . . 0.0 110.582 -171.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -121.01 149.25 42.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.56 1.144 . . . . 0.0 109.719 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -132.36 145.55 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.886 1.675 . . . . 0.0 107.498 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -143.54 129.41 19.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.627 -0.671 . . . . 0.0 109.965 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.86 96.91 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 173.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.44 -28.52 62.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.97 -0.456 . . . . 0.0 110.82 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.48 40.04 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.106 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -108.03 158.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.833 0.853 . . . . 0.0 110.401 169.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.9 t -145.24 76.72 1.49 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 109.645 171.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.85 -113.36 3.66 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.478 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 8.9 mp0 -99.69 -0.27 40.48 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.473 0.709 . . . . 0.0 110.656 171.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -78.74 160.05 27.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 111.817 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -134.04 124.77 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.62 169.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -84.54 115.35 22.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.051 0.94 . . . . 0.0 108.845 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.19 119.87 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 O-C-N 123.71 0.631 . . . . 0.0 109.315 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.7 132.12 11.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mt -121.68 135.94 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -138.04 89.86 2.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.232 0.539 . . . . 0.0 109.799 -169.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.36 158.54 61.0 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 124.749 1.22 . . . . 0.0 109.7 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -62.14 151.16 83.59 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.876 1.717 . . . . 0.0 110.205 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -65.16 -0.74 1.81 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.308 0.643 . . . . 0.0 112.459 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.0 -24.82 66.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.066 1.346 . . . . 0.0 111.433 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.79 159.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.546 1.138 . . . . 0.0 110.934 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 157.04 16.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.14 123.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.891 0.477 . . . . 0.0 110.473 168.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -149.62 155.82 40.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.897 0.879 . . . . 0.0 110.965 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -69.36 160.01 32.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.031 -0.418 . . . . 0.0 110.608 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.19 -32.52 71.16 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.61 0.764 . . . . 0.0 112.056 -170.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.67 -43.49 72.48 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 124.488 1.115 . . . . 0.0 112.137 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -88.74 -37.13 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.514 1.126 . . . . 0.0 110.649 -170.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -50.44 -41.3 52.44 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 170.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -67.71 -25.6 65.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -76.42 -35.2 58.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 119.268 0.94 . . . . 0.0 111.164 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -77.49 -39.41 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.16 0.22 25.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.816 0.846 . . . . 0.0 111.051 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.0 -18.27 63.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.629 0.772 . . . . 0.0 111.473 169.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.57 36.52 0.23 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.907 -0.941 . . . . 0.0 114.441 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.8 -173.76 4.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.897 1.348 . . . . 0.0 114.079 -168.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 23.6 m -132.07 153.91 49.96 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 126.54 1.936 . . . . 0.0 106.758 166.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.77 125.73 8.2 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 118.589 0.631 . . . . 0.0 112.075 -169.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.06 165.02 13.05 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.262 1.975 . . . . 0.0 114.896 -170.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.925 -172.556 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -106.63 119.33 39.01 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.317 0.647 . . . . 0.0 110.895 -167.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.26 137.78 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.143 0.977 . . . . 0.0 109.192 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.66 164.16 26.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 110.898 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 105.59 8.0 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 166.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -112.4 128.98 56.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.432 1.493 . . . . 0.0 109.863 -171.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -93.05 165.15 12.99 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.719 1.145 . . . . 0.0 112.575 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -59.79 137.9 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.45 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.53 -3.65 83.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.06 0.838 . . . . 0.0 114.114 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -97.0 172.64 7.72 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.673 1.236 . . . . 0.0 111.341 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -132.72 158.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -169.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.83 157.19 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 127.147 2.179 . . . . 0.0 108.144 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -135.86 149.07 48.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.581 -0.7 . . . . 0.0 112.827 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.45 134.23 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.716 1.206 . . . . 0.0 109.021 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.23 -138.64 48.64 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.39 9.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.946 0.898 . . . . 0.0 112.517 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -126.08 -14.5 6.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.12 135.56 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 119.215 0.916 . . . . 0.0 111.165 -170.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -125.94 143.31 51.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.651 1.181 . . . . 0.0 109.823 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -123.7 141.04 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.194 1.398 . . . . 0.0 108.117 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -136.78 126.09 24.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.925 0.49 . . . . 0.0 109.952 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.82 102.62 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.03 -29.79 63.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.097 -0.377 . . . . 0.0 110.927 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.06 -173.65 34.66 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 123.379 0.514 . . . . 0.0 113.537 170.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.72 159.91 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 124.033 0.933 . . . . 0.0 111.861 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.94 93.77 2.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.528 1.131 . . . . 0.0 109.084 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.45 -112.91 4.97 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.25 -22.33 19.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 117.519 0.659 . . . . 0.0 111.564 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.01 140.36 52.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.341 0.591 . . . . 0.0 109.932 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.23 115.48 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -91.56 122.79 34.45 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.315 0.646 . . . . 0.0 109.539 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.01 131.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.351 0.66 . . . . 0.0 110.717 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.84 140.2 14.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.517 1.056 . . . . 0.0 111.276 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -131.42 125.92 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.715 1.206 . . . . 0.0 108.891 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -126.38 98.99 5.65 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.78 73.87 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.0 110.569 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.58 158.63 40.48 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.016 2.477 . . . . 0.0 112.08 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -72.11 -0.99 13.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 171.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.95 -22.59 66.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.412 1.085 . . . . 0.0 111.484 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.25 157.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.277 1.031 . . . . 0.0 110.435 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.58 160.22 14.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.98 127.98 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.105 0.562 . . . . 0.0 110.406 170.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -151.59 169.05 23.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.662 0.785 . . . . 0.0 111.119 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.0 155.82 39.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.53 -31.06 69.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.204 0.457 . . . . 0.0 111.76 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.76 -41.53 70.56 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.644 1.178 . . . . 0.0 112.229 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -89.89 -34.65 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.424 1.09 . . . . 0.0 109.737 -172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -51.98 -32.04 31.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.078 1.351 . . . . 0.0 112.987 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.66 -22.0 61.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.442 1.097 . . . . 0.0 112.672 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -78.95 -22.63 45.44 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 126.642 1.977 . . . . 0.0 112.703 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.73 -63.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.295 1.038 . . . . 0.0 112.015 -168.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 3.18 39.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.0 2.49 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 173.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.77 28.02 6.44 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.466 1.032 . . . . 0.0 112.152 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.39 2.09 11.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -166.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 21.8 p -64.79 -23.74 67.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.856 0.463 . . . . 0.0 111.7 170.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.35 135.22 19.51 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 124.101 0.96 . . . . 0.0 109.483 168.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.72 158.93 15.16 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.625 2.883 . . . . 0.0 113.891 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t0 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 125.197 1.399 . . . . 0.0 112.863 169.462 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.178 0.066 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.18 150.0 20.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.18 -0.325 . . . . 0.0 111.442 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.26 130.9 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 169.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.8 mt -127.3 156.36 42.06 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.726 1.21 . . . . 0.0 109.293 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -130.48 98.53 4.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 168.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 162.01 18.51 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 122.83 0.452 . . . . 0.0 110.723 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -106.36 175.27 5.56 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 122.934 0.494 . . . . 0.0 111.318 -172.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.76 137.76 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.02 84.33 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.106 0.86 . . . . 0.0 115.051 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -85.41 170.92 12.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 119.066 1.433 . . . . 0.0 112.293 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -133.0 150.06 52.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.872 0.869 . . . . 0.0 112.078 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -134.62 158.03 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 126.269 1.828 . . . . 0.0 107.746 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -133.57 149.52 51.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.43 0.692 . . . . 0.0 112.241 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.64 140.31 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.637 1.175 . . . . 0.0 109.028 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.57 -134.76 51.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.92 10.15 6.98 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -131.39 -21.21 2.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.91 138.6 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.385 0.993 . . . . 0.0 111.25 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -129.27 143.97 51.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.631 1.172 . . . . 0.0 110.628 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -125.04 129.28 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.3 1.44 . . . . 0.0 108.966 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -127.94 126.78 42.1 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.354 0.662 . . . . 0.0 110.384 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -85.82 111.88 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.38 -34.02 42.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.847 0.459 . . . . 0.0 110.268 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.56 -174.32 36.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.958 0.313 . . . . 0.0 113.465 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.9 160.37 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.738 0.815 . . . . 0.0 112.004 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.34 91.3 1.81 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.426 1.09 . . . . 0.0 109.218 169.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.78 -102.99 1.2 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -99.43 -18.26 17.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.394 0.597 . . . . 0.0 112.212 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.9 144.63 41.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.045 0.538 . . . . 0.0 110.535 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.03 111.19 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.33 120.54 30.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.235 0.614 . . . . 0.0 109.659 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.08 134.53 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.242 1.017 . . . . 0.0 110.146 -169.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.53 144.88 16.04 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.037 0.827 . . . . 0.0 111.369 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 64.0 mt -134.46 125.1 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.839 0.856 . . . . 0.0 109.279 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -118.18 103.88 10.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.066 0.946 . . . . 0.0 108.957 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.89 76.92 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.954 0.902 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.93 160.52 40.85 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.781 2.321 . . . . 0.0 112.263 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -64.74 -11.6 38.12 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.33 -14.48 61.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.804 1.242 . . . . 0.0 112.482 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -126.31 163.82 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.911 0.884 . . . . 0.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.94 162.97 13.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.364 0.666 . . . . 0.0 111.499 171.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.1 119.99 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.401 0.68 . . . . 0.0 110.153 172.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -152.26 173.28 15.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.779 0.832 . . . . 0.0 110.603 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.37 160.88 31.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.12 -22.3 66.88 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.47 -43.5 93.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.421 1.088 . . . . 0.0 111.731 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -87.44 -30.73 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . 0.411 ' HA ' ' CG1' ' F' ' 51' ' ' ILE . 71.5 t80 -50.65 -35.77 32.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 0.0 112.8 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.75 -26.12 66.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.424 0.69 . . . . 0.0 112.051 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -80.85 -41.31 23.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.192 0.597 . . . . 0.0 110.093 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' F' ' 48' ' ' TYR . 8.1 mm -51.48 -37.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.641 1.176 . . . . 0.0 111.416 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -85.39 -37.43 19.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.87 -23.94 11.5 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -167.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.32 -26.05 0.5 Allowed Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.4 1.0 . . . . 0.0 113.69 -170.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.39 172.79 0.16 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 128.021 2.528 . . . . 0.0 113.158 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.4 p -95.74 -4.91 43.2 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.99 134.14 18.94 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.128 0.971 . . . . 0.0 110.02 171.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -64.28 177.58 1.99 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.033 2.489 . . . . 0.0 113.926 173.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 124.308 1.043 . . . . 0.0 112.074 175.335 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.321 0 O4'-C1'-N19 111.18 2.98 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 111.346 3.146 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.345 4.145 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.7 3.5 . 0.166 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-O4' 114.093 3.495 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.933 3.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C3'-C2'-C1' 103.826 2.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 O5'-C5'-C4' 113.226 2.161 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 110.136 -3.576 . 0.137 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 O4'-C1'-N19 111.061 2.861 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.436 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 111.73 -2.513 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 111.051 -2.966 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 100.15 -2.55 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.751 3.551 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 O4'-C1'-N19 110.571 2.371 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C5'-C4'-C3' 110.488 -3.341 . 0.662 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 111.684 -2.544 . 0.296 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 2 O4'-C1'-N19 113.682 5.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 O4'-C1'-N19 112.497 4.297 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 O4'-C1'-N19 112.394 4.194 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-O4' 112.682 2.487 . 0.384 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 112.459 4.259 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 112.119 3.919 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 N19-C1'-C2' 109.274 -2.579 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.223 3.023 . 0.527 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C5'-C4'-C3' 111.509 -2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.421 ' H1 ' HG22 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.373 0 C5'-C4'-C3' 111.453 -2.698 . 0.084 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 C5'-C4'-C3' 111.439 -2.707 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 C5'-C4'-C3' 109.171 -4.22 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 P-O3'-C3' 125.498 4.832 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 O4'-C1'-N19 111.065 2.865 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.451 4.251 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.205 -3.495 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 99.385 -3.315 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.089 3.889 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 1 O4'-C1'-N19 115.699 7.499 . 0.382 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 C5'-C4'-C3' 109.644 -3.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C3'-C2'-C1' 103.803 2.559 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 113.069 4.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.441 1 C5'-C4'-C3' 109.061 -4.292 . 0.053 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O4'-C1'-N19 112.183 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 112.168 3.968 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C4'-C3'-C2' 99.334 -3.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 2 C4'-C3'-C2' 98.531 -4.169 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.275 3.075 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.317 4.117 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.492 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C3'-C2'-C1' 104.935 3.817 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.492 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.751 -2.949 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 C5'-C4'-C3' 111.658 -2.561 . 0.446 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 O5'-C5'-C4' 117.483 5.202 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 112.185 -2.21 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 112.192 3.992 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 100.127 -2.573 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 110.869 2.669 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.911 4.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 O4'-C4'-C3' 109.098 2.57 . 0.235 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.124 3.924 . 0.0 OUTLIER '7D dist 2h' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 O4'-C1'-N19 111.073 2.873 . 0.269 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 O4'-C1'-N19 111.18 2.98 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 1 C3'-C2'-C1' 105.216 4.129 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-O4' 114.001 3.429 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 P-O3'-C3' 123.316 3.014 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C3'-C2'-C1' 103.816 2.574 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C5'-C4'-C3' 111.143 -2.905 . 0.149 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.438 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.24 2 C3'-C2'-C1' 96.848 -5.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 C5'-C4'-C3' 109.132 -4.246 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 N19-C1'-C2' 109.163 -2.648 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 O4'-C1'-N19 112.283 4.083 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 O4'-C1'-N19 111.269 3.069 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 110.457 -3.362 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 118.964 -0.541 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.99 113.65 25.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.344 0.658 . . . . 0.0 109.919 -174.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -98.74 134.79 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.36 152.5 50.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.75 0.82 . . . . 0.0 109.937 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.5 m -128.05 100.95 6.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.797 0.839 . . . . 0.0 109.536 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -129.12 152.34 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.936 0.494 . . . . 0.0 111.08 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 162.56 13.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.631 0.773 . . . . 0.0 111.475 -177.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.0 t -43.3 129.88 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.318 1.047 . . . . 0.0 111.373 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.53 -6.04 70.74 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.294 0.949 . . . . 0.0 113.989 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -93.59 170.83 9.3 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.621 1.21 . . . . 0.0 112.177 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -139.27 154.84 48.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.0 mm -123.06 158.03 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 126.577 1.951 . . . . 0.0 109.715 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -128.04 139.71 52.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.303 1.041 . . . . 0.0 111.217 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -134.42 135.62 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.43 1.092 . . . . 0.0 109.425 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.63 -129.99 25.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.34 -0.6 6.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.0 0.92 . . . . 0.0 112.224 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -137.04 -15.43 1.51 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -169.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.41 137.55 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.394 0.678 . . . . 0.0 110.968 -168.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -138.94 127.84 23.62 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.319 0.647 . . . . 0.0 110.315 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -108.8 145.51 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.413 1.085 . . . . 0.0 108.998 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.7 m -138.4 135.01 34.86 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.208 0.603 . . . . 0.0 110.278 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -86.25 95.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 169.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.01 -26.83 65.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.983 -0.448 . . . . 0.0 110.316 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.45 -167.94 41.03 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 117.764 0.256 . . . . 0.0 113.607 169.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.85 146.1 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.779 0.832 . . . . 0.0 110.605 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 m -136.41 64.4 1.55 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.877 1.271 . . . . 0.0 109.814 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.12 -120.38 7.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.94 -4.33 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.442 0.697 . . . . 0.0 111.921 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -98.96 159.18 15.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.623 0.725 . . . . 0.0 111.69 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.07 133.72 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.227 1.411 . . . . 0.0 108.755 -170.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -102.09 101.84 12.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.666 0.786 . . . . 0.0 109.194 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.84 134.11 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.376 1.07 . . . . 0.0 109.887 -173.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.57 144.61 17.64 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.902 0.763 . . . . 0.0 111.997 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.26 130.7 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.414 1.486 . . . . 0.0 108.536 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -116.97 74.93 0.94 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.687 0.795 . . . . 0.0 109.613 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.82 153.26 39.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.233 0.613 . . . . 0.0 110.994 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.29 155.04 51.56 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.62 2.213 . . . . 0.0 110.247 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -67.87 -4.3 12.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -71.03 -20.22 62.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 112.17 170.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -119.14 144.07 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.946 0.879 . . . . 0.0 111.549 170.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.79 143.06 36.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.774 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.74 126.95 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-N 118.399 0.545 . . . . 0.0 110.404 170.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -153.51 -175.99 5.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.963 0.905 . . . . 0.0 110.458 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 172.59 12.09 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 170.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.92 -36.59 74.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.773 1.229 . . . . 0.0 113.583 -166.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.53 -12.69 58.86 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.57 -28.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.607 1.163 . . . . 0.0 111.235 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -62.2 -31.42 71.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.546 -0.721 . . . . 0.0 110.847 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.38 -20.55 60.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.989 0.915 . . . . 0.0 111.741 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.36 -30.75 53.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.14 0.976 . . . . 0.0 111.389 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -52.83 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.919 0.888 . . . . 0.0 109.75 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.87 5.22 8.22 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.8 0.84 . . . . 0.0 111.445 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.52 66.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.042 0.537 . . . . 0.0 112.01 168.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.42 21.04 0.96 Allowed Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.794 0.712 . . . . 0.0 113.592 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -128.49 170.45 13.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.324 1.049 . . . . 0.0 111.81 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p -144.61 150.28 37.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.139 0.975 . . . . 0.0 110.927 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.52 152.33 45.12 Favored Pre-proline 0 N--CA 1.454 -0.243 0 C-N-CA 123.482 0.713 . . . . 0.0 111.703 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.26 -175.93 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.034 2.489 . . . . 0.0 112.803 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.9 t0 . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 125.088 1.355 . . . . 0.0 110.327 -176.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -114.82 124.77 52.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.1 139.41 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -165.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -134.42 143.56 47.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.024 1.33 . . . . 0.0 110.766 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.417 ' HB ' ' H42' ' G' ' 47' ' ' ' C' . 13.4 m -119.39 105.6 11.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -130.91 155.7 46.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.534 0.734 . . . . 0.0 110.34 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -90.69 164.76 14.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.18 131.14 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.238 0.542 . . . . 0.0 110.315 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.21 -5.26 62.98 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.121 -0.822 . . . . 0.0 114.822 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.71 158.89 20.64 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.119 1.46 . . . . 0.0 112.752 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -121.2 146.13 47.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.488 1.115 . . . . 0.0 111.772 -171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.97 152.81 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.877 1.671 . . . . 0.0 108.664 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -137.25 143.14 42.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.574 -0.704 . . . . 0.0 112.732 -169.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.78 132.65 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.468 1.107 . . . . 0.0 109.853 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -139.88 47.88 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.664 0.65 . . . . 0.0 111.513 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.85 0.99 12.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.893 0.877 . . . . 0.0 111.852 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -120.87 -16.57 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.75 0.82 . . . . 0.0 113.184 -169.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.59 135.86 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.716 0.769 . . . . 0.0 110.904 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 147.89 50.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.522 1.129 . . . . 0.0 109.535 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.0 mm -127.92 144.01 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.876 1.671 . . . . 0.0 107.788 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -140.29 128.59 22.53 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -80.44 110.19 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -81.97 -29.36 32.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.977 -0.452 . . . . 0.0 110.912 -177.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -178.94 34.14 Favored Glycine 0 C--N 1.335 0.482 0 CA-C-O 120.9 0.166 . . . . 0.0 112.724 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -108.97 152.38 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.265 0.555 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -135.47 76.27 1.61 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.594 1.158 . . . . 0.0 108.37 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -114.45 4.02 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.87 15.5 22.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.177 0.489 . . . . 0.0 111.337 169.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -98.91 158.26 15.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.462 1.105 . . . . 0.0 109.544 169.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.76 116.58 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -84.45 116.28 23.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.239 1.416 . . . . 0.0 109.206 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -128.54 130.64 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.889 0.876 . . . . 0.0 110.034 -171.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.93 140.13 14.87 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 123.593 0.616 . . . . 0.0 111.85 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.8 mt -123.78 130.59 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.155 0.982 . . . . 0.0 108.896 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -132.53 79.34 1.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.649 -168.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.65 158.49 64.79 Favored Pre-proline 0 N--CA 1.45 -0.45 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.812 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.3 156.47 40.44 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.09 1.86 . . . . 0.0 111.166 169.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -67.63 -0.7 4.17 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.572 0.749 . . . . 0.0 112.3 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.86 -27.55 68.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.372 1.469 . . . . 0.0 111.317 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -109.47 144.15 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.629 1.172 . . . . 0.0 110.11 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.461 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -85.7 141.41 29.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 170.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t -144.29 97.39 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.856 -167.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.544 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.2 OUTLIER -144.78 163.97 32.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 C-N-CA 123.941 0.896 . . . . 0.0 110.293 177.128 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 16.4 ptt180 -66.98 157.6 32.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.111 -0.368 . . . . 0.0 111.78 170.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -53.05 -38.68 62.67 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.751 0.82 . . . . 0.0 112.012 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.22 -52.62 20.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.753 0.821 . . . . 0.0 111.57 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -73.88 -43.9 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.264 1.026 . . . . 0.0 110.864 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -50.79 -37.31 41.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.315 1.046 . . . . 0.0 112.0 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.02 -26.69 66.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -79.06 -39.1 34.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.94 0.791 . . . . 0.0 110.326 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.59 -41.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -78.89 5.03 12.46 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.39 -18.12 49.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.852 0.461 . . . . 0.0 111.612 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.65 46.33 0.09 OUTLIER Glycine 0 C--N 1.338 0.659 0 CA-C-O 119.449 -0.64 . . . . 0.0 114.345 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -176.46 2.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.914 0.857 . . . . 0.0 112.815 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -125.92 178.3 5.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.277 1.431 . . . . 0.0 109.577 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 120.79 1.86 Allowed Pre-proline 0 N--CA 1.454 -0.239 0 C-N-CA 124.35 1.06 . . . . 0.0 111.797 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -56.33 129.48 35.0 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.091 2.527 . . . . 0.0 112.722 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 CA--C 1.529 0.139 0 C-N-CA 126.513 1.925 . . . . 0.0 114.827 172.431 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.15 108.73 19.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 168.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.0 134.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.689 0.795 . . . . 0.0 109.412 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -128.98 135.01 48.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.144 0.978 . . . . 0.0 109.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -93.93 143.8 26.02 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.974 0.51 . . . . 0.0 110.649 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -146.06 124.03 12.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.525 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.3 tptm -76.51 151.81 36.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.85 137.89 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 O-C-N 121.77 -0.581 . . . . 0.0 112.127 -174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.75 -2.97 84.85 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.654 1.121 . . . . 0.0 114.129 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -93.06 174.86 7.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.082 1.441 . . . . 0.0 112.082 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -131.62 161.24 33.16 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mt -141.68 158.56 21.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 128.255 2.622 . . . . 0.0 107.749 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.94 150.55 51.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.238 -0.914 . . . . 0.0 112.243 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -132.21 133.84 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.507 1.123 . . . . 0.0 108.81 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 -140.63 45.09 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.688 0.661 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -116.06 4.27 13.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.751 1.221 . . . . 0.0 111.163 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -125.23 -14.46 6.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -169.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.98 139.36 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 118.873 0.76 . . . . 0.0 111.115 -169.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 50.1 m -122.33 142.79 50.13 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.605 1.162 . . . . 0.0 109.551 171.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 mm -122.97 139.16 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.027 1.331 . . . . 0.0 108.071 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -138.37 133.04 32.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.797 -0.564 . . . . 0.0 110.484 -174.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -90.2 117.46 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.38 -37.86 12.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.097 -0.377 . . . . 0.0 110.198 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.41 -171.8 44.19 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.908 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.76 154.58 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.283 0.633 . . . . 0.0 111.615 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -146.73 110.46 4.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.833 1.253 . . . . 0.0 109.131 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -118.39 8.79 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -98.7 -7.71 27.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -77.08 149.8 35.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.738 0.78 . . . . 0.0 110.924 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -133.44 115.67 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -78.12 105.01 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -108.76 135.73 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 125.433 1.493 . . . . 0.0 108.932 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.98 137.21 14.05 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.65 1.119 . . . . 0.0 112.119 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.25 113.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.021 1.328 . . . . 0.0 107.887 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -122.26 89.98 3.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.687 -168.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.14 158.82 69.85 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.696 1.198 . . . . 0.0 110.142 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.51 150.96 82.96 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.394 2.063 . . . . 0.0 110.806 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.25 -0.9 1.96 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.662 0.785 . . . . 0.0 112.64 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.88 -22.19 66.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.374 1.069 . . . . 0.0 111.336 169.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.77 145.89 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.181 0.993 . . . . 0.0 110.316 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.69 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.611 0.365 . . . . 0.0 111.157 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -137.11 133.51 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -152.4 168.03 26.78 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.572 0.749 . . . . 0.0 110.555 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 27.2 ptt-85 -88.52 157.16 18.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 166.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -58.3 -35.78 72.35 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.241 0.616 . . . . 0.0 112.555 -168.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.2 -19.9 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.517 1.127 . . . . 0.0 113.497 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.41 -36.5 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.869 0.867 . . . . 0.0 110.815 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -51.59 -35.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.592 1.157 . . . . 0.0 112.686 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.16 -29.89 67.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.706 0.802 . . . . 0.0 112.582 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.58 -37.94 83.34 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.498 0.719 . . . . 0.0 111.735 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.51 -19.12 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 O-C-N 122.075 -0.391 . . . . 0.0 109.992 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -95.39 0.42 53.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.793 0.837 . . . . 0.0 112.611 173.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.89 -6.01 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.783 0.833 . . . . 0.0 113.003 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.04 -131.66 2.38 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -175.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 mt 67.38 172.34 0.26 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.432 1.493 . . . . 0.0 111.965 172.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 42.8 p 50.69 13.73 0.15 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 126.98 2.112 . . . . 0.0 115.268 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.43 85.76 4.47 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.141 1.376 . . . . 0.0 108.995 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -67.21 174.67 6.71 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.95 2.433 . . . . 0.0 113.24 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.455 -0.205 0 C-N-CA 124.011 0.924 . . . . 0.0 112.586 178.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.421 ' HE1' ' C6 ' ' G' ' 67' ' ' ' C' . 6.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -118.28 122.8 43.82 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.856 1.662 . . . . 0.0 108.982 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.61 135.44 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 109.913 -168.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.05 161.29 37.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.046 1.338 . . . . 0.0 111.51 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -105.62 116.98 32.86 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.27 133.73 53.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.564 0.746 . . . . 0.0 109.638 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -86.79 159.18 19.2 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 118.479 0.581 . . . . 0.0 111.356 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.35 137.35 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.2 0.524 . . . . 0.0 111.833 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.31 83.74 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.373 0.987 . . . . 0.0 114.109 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -94.69 175.62 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.879 1.34 . . . . 0.0 112.264 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.4 m -132.73 157.38 45.05 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 39.7 mt -137.73 161.56 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.705 2.402 . . . . 0.0 108.892 -177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.45 150.89 45.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.137 0.975 . . . . 0.0 112.419 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -135.85 139.26 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.815 1.246 . . . . 0.0 109.11 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.58 -136.52 51.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -123.61 9.91 9.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.196 0.998 . . . . 0.0 111.68 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.41 -13.23 2.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.72 137.58 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.678 0.672 . . . . 0.0 110.658 -172.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -122.87 149.85 43.66 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.411 1.084 . . . . 0.0 109.945 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -131.57 144.67 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 125.969 1.707 . . . . 0.0 107.701 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.97 130.16 26.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.17 100.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 171.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -75.45 -31.46 60.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.841 0.456 . . . . 0.0 110.712 -171.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.25 -175.73 41.67 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 121.971 -0.156 . . . . 0.0 113.237 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 m -107.9 156.47 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.654 0.781 . . . . 0.0 109.938 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -140.35 75.88 1.53 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.528 0.731 . . . . 0.0 109.372 169.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.41 -113.41 3.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.478 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.3 mp0 -95.55 -3.72 46.0 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.619 0.767 . . . . 0.0 110.395 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.14 155.92 31.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.579 0.704 . . . . 0.0 111.596 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.66 123.39 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.4 1.48 . . . . 0.0 107.124 168.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -94.49 111.3 23.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.1 124.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.529 0.731 . . . . 0.0 110.092 -169.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.29 139.23 14.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 71.4 mt -129.7 136.43 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -138.08 89.92 2.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.898 -0.501 . . . . 0.0 109.753 -171.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.88 155.63 60.28 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 124.501 1.12 . . . . 0.0 109.839 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.17 150.5 86.55 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.066 1.844 . . . . 0.0 110.488 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.87 -1.06 6.34 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.8 -23.31 66.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.831 1.252 . . . . 0.0 111.515 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.02 159.99 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.271 1.029 . . . . 0.0 110.629 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.87 157.06 17.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.069 0.548 . . . . 0.0 112.117 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 125.24 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 O-C-N 121.953 -0.467 . . . . 0.0 110.67 169.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -148.22 165.99 29.27 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -63.92 154.16 34.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.45 -26.59 68.02 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.584 -0.697 . . . . 0.0 111.651 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.25 -23.76 62.05 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.891 0.876 . . . . 0.0 112.703 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -94.88 -35.83 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.903 1.281 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.59 -40.25 65.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.75 0.82 . . . . 0.0 110.884 173.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.38 -20.99 65.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -81.7 -37.76 26.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.973 0.806 . . . . 0.0 111.37 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.407 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 71.4 mt -73.83 -36.74 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -80.64 1.92 27.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.054 0.942 . . . . 0.0 110.986 173.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.88 -15.39 60.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.791 0.836 . . . . 0.0 111.456 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.83 40.59 0.28 Allowed Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.825 -0.986 . . . . 0.0 114.908 169.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.7 pp -158.56 179.03 9.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.071 1.435 . . . . 0.0 113.819 -168.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 29.8 m -141.73 90.35 2.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.079 1.352 . . . . 0.0 108.896 168.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 38.65 80.54 0.27 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 126.528 1.931 . . . . 0.0 114.649 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -64.35 175.56 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.114 2.543 . . . . 0.0 113.675 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.58 1.152 . . . . 0.0 113.126 177.095 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.51 115.76 30.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.14 0.576 . . . . 0.0 110.776 -168.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.68 140.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.987 0.915 . . . . 0.0 109.663 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.61 165.02 25.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.457 1.503 . . . . 0.0 111.28 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.5 103.84 6.64 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 167.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -110.46 128.89 55.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.623 1.569 . . . . 0.0 109.584 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.28 166.37 12.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 119.895 1.225 . . . . 0.0 112.383 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.01 139.35 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.381 -169.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.55 85.14 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.144 0.878 . . . . 0.0 114.146 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -96.55 176.5 6.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.637 1.218 . . . . 0.0 111.593 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -135.27 159.81 40.39 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -138.41 156.37 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 126.895 2.078 . . . . 0.0 108.258 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.71 148.51 51.45 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mt -137.11 135.43 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.741 1.217 . . . . 0.0 109.085 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.73 -139.09 47.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.44 10.05 7.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.962 0.905 . . . . 0.0 112.494 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -125.48 -14.2 6.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.85 135.07 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 119.243 0.929 . . . . 0.0 111.048 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -127.32 143.25 51.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.367 1.067 . . . . 0.0 109.938 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -122.55 140.67 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.982 1.313 . . . . 0.0 108.188 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 44.1 m -135.47 125.26 25.52 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.076 0.55 . . . . 0.0 110.08 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -79.85 103.5 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.03 -34.1 68.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.921 -0.487 . . . . 0.0 110.655 -175.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.15 -170.52 37.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.175 0.417 . . . . 0.0 113.655 169.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -122.8 161.41 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.972 0.909 . . . . 0.0 111.797 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.5 91.61 1.84 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.328 1.051 . . . . 0.0 109.306 169.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -103.02 1.34 Allowed Glycine 0 CA--C 1.525 0.665 0 O-C-N 121.835 -0.541 . . . . 0.0 111.784 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.05 -18.84 16.07 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.436 0.618 . . . . 0.0 112.003 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -70.55 145.73 50.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.93 118.84 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -95.88 122.19 38.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.679 0.791 . . . . 0.0 109.55 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.9 126.89 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.491 0.317 . . . . 0.0 110.889 -167.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.81 140.47 15.91 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.399 0.999 . . . . 0.0 111.413 172.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -130.1 122.41 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 124.979 1.312 . . . . 0.0 108.764 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -122.22 99.02 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 109.276 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.55 71.91 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.283 1.033 . . . . 0.0 110.443 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.59 158.67 40.36 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -71.59 -0.93 11.87 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.518 0.727 . . . . 0.0 112.679 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.01 -23.82 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.83 1.252 . . . . 0.0 112.147 169.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.05 160.99 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.827 0.851 . . . . 0.0 111.111 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.49 155.78 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 124.68 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.127 0.571 . . . . 0.0 109.736 168.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -148.67 170.59 17.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.706 0.802 . . . . 0.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -65.25 157.88 27.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.74 -26.94 68.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.098 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -60.03 -45.25 93.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.957 1.303 . . . . 0.0 111.996 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -84.49 -32.29 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.673 0.789 . . . . 0.0 110.226 -173.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.11 -35.17 61.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.552 1.141 . . . . 0.0 112.767 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.9 -26.16 67.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.64 0.776 . . . . 0.0 112.534 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.01 -23.03 61.33 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.646 0.778 . . . . 0.0 110.69 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 89.3 mt -96.83 -48.09 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.39 1.076 . . . . 0.0 109.407 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -70.63 3.09 3.36 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.23 66.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.671 0.788 . . . . 0.0 111.784 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.44 31.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.103 -0.832 . . . . 0.0 114.576 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.25 166.12 33.15 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.599 1.2 . . . . 0.0 112.9 -168.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -144.79 6.54 1.21 Allowed 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.682 1.193 . . . . 0.0 111.943 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.3 134.27 24.43 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.867 0.867 . . . . 0.0 110.247 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -59.98 172.9 2.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.6 2.867 . . . . 0.0 113.7 173.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.954 1.302 . . . . 0.0 112.737 177.362 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.21 147.44 25.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.288 0.495 . . . . 0.0 111.6 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.18 126.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.28 149.45 32.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 108.801 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.69 97.0 4.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 168.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.0 51.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.737 0.815 . . . . 0.0 111.163 -174.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -94.91 173.61 7.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -171.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -57.91 138.04 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.101 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -7.75 76.99 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.042 -0.866 . . . . 0.0 114.64 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.86 176.04 9.91 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.177 1.489 . . . . 0.0 112.412 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 33.7 m -146.44 155.1 42.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.041 0.936 . . . . 0.0 111.173 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -135.76 155.99 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 126.292 1.837 . . . . 0.0 108.006 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -130.27 151.85 50.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.254 -0.904 . . . . 0.0 112.501 -176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -136.48 140.87 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.741 1.216 . . . . 0.0 109.152 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.13 -139.27 48.87 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -119.51 10.06 11.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.07 0.948 . . . . 0.0 111.797 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.21 -15.33 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.61 137.09 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.22 0.918 . . . . 0.0 110.903 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -128.41 143.68 51.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.438 1.095 . . . . 0.0 110.65 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.36 138.15 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.961 1.705 . . . . 0.0 108.283 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -136.84 132.21 34.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.825 0.85 . . . . 0.0 109.984 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.54 110.79 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.9 -28.92 55.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.026 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.26 -168.41 30.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 123.826 0.727 . . . . 0.0 113.08 168.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -122.72 158.42 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 C-N-CA 123.598 0.759 . . . . 0.0 111.964 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -143.84 89.97 2.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.023 1.329 . . . . 0.0 109.084 169.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -105.91 1.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.76 -20.11 19.78 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.259 0.529 . . . . 0.0 111.901 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -74.28 143.79 44.87 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.163 0.585 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.06 111.34 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -87.62 124.33 33.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.3 134.13 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.756 0.822 . . . . 0.0 110.101 -168.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.06 137.92 13.68 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.31 138.62 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 109.61 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -127.4 110.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.245 1.018 . . . . 0.0 108.899 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.09 157.87 77.07 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.807 0.843 . . . . 0.0 111.189 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.8 160.59 40.04 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.744 2.296 . . . . 0.0 112.106 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.55 -14.64 44.46 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.77 -14.86 61.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.533 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -128.1 164.93 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.881 0.872 . . . . 0.0 111.025 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.97 14.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.388 0.675 . . . . 0.0 111.517 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.64 119.3 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.367 0.667 . . . . 0.0 109.929 169.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -152.21 173.58 14.81 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.975 0.91 . . . . 0.0 110.225 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -78.01 161.31 27.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.96 -0.463 . . . . 0.0 110.103 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -62.03 -23.48 66.48 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -170.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.6 -47.21 85.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.988 0.915 . . . . 0.0 111.621 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.27 -28.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.703 0.801 . . . . 0.0 110.155 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -54.91 -35.89 64.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.836 0.854 . . . . 0.0 112.423 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.57 -28.45 66.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.267 0.627 . . . . 0.0 112.377 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -71.72 -22.95 61.56 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.529 0.732 . . . . 0.0 110.665 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -95.79 -48.14 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 123.79 0.836 . . . . 0.0 110.173 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.66 3.06 2.69 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.21 67.62 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.699 0.8 . . . . 0.0 112.349 169.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.05 25.83 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.54 -175.57 5.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.584 1.192 . . . . 0.0 111.622 -169.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -119.71 -28.27 5.29 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.376 0.67 . . . . 0.0 112.102 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.0 123.56 23.61 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 123.845 0.858 . . . . 0.0 110.111 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -57.7 141.93 95.72 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.194 2.596 . . . . 0.0 113.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 125.777 1.631 . . . . 0.0 113.411 173.6 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.227 3.027 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.56 3.36 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 112.439 4.239 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 111.849 3.649 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.703 3.503 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C5'-C4'-O4' 114.566 3.833 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 O4'-C1'-N19 112.329 4.129 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C3'-C2'-C1' 104.218 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O5'-C5'-C4' 113.433 2.309 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 0 C3'-C2'-C1' 104.755 3.617 . 0.198 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C3'-C2'-C1' 103.713 2.459 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 110.939 -3.041 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C4'-C3'-C2' 100.349 -2.351 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.74 3.54 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 N19-C1'-C2' 109.007 -2.746 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 O4'-C1'-N19 112.423 4.223 . 0.063 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C4'-C3'-C2' 100.456 -2.244 OUTLIER-DELTA 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 2 O4'-C1'-N19 113.393 5.193 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 O4'-C1'-N19 112.522 4.322 . 0.344 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 112.655 4.455 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.064 -2.636 . 0.415 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.597 4.397 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 112.185 3.985 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 N19-C1'-C2' 108.443 -3.098 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.404 3.204 . 0.43 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.544 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 N19-C1'-C2' 116.465 1.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.52 0 C5'-C4'-C3' 111.99 -2.34 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . 0.421 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C5'-C4'-C3' 111.159 -2.894 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 0 O5'-C5'-C4' 105.816 -3.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.421 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C4'-C3'-C2' 99.569 -3.131 . 0.018 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.166 2.966 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 1 O4'-C1'-N19 112.204 4.004 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 99.207 -3.493 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.562 -3.138 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.147 3.947 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 114.815 6.615 . 0.184 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.484 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.054 2.854 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.484 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C3'-C2'-C1' 103.808 2.565 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 113.301 5.101 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C5'-C4'-C3' 109.84 -3.774 . 0.033 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 1 O4'-C1'-N19 112.348 4.148 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C3'-C2'-C1' 105.039 3.932 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.423 4.223 . 0.284 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 O4'-C1'-N19 112.455 4.255 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C4'-C3'-C2' 99.896 -2.804 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . 0.417 ' H42' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 O4'-C1'-N19 112.356 4.156 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.52 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 O4'-C1'-N19 111.723 3.523 . 0.378 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.52 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.991 2.791 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 111.299 3.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 0 C3'-C2'-C1' 103.782 2.536 . 0.422 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 O5'-C5'-C4' 117.285 5.061 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 111.57 -2.62 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 1 O4'-C1'-N19 112.426 4.226 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C4'-C3'-C2' 100.082 -2.618 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.369 3.169 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.917 4.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.811 4.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 111.633 3.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.253 3.053 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.908 3.708 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.431 3.231 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 104.89 3.767 . 0.511 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.435 -3.265 . 0.11 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O5'-C5'-C4' 113.423 2.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . 0.563 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 C3'-C2'-C1' 106.371 5.412 . 0.391 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.563 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.675 1 O5'-C5'-C4' 121.064 7.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C4'-C3'-C2' 99.287 -3.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 111.212 -2.859 . 0.935 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 112.01 3.81 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.212 3.012 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 111.874 3.674 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 109.73 22.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.929 . . . . 0.0 108.934 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.34 133.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 108.949 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.7 mt -131.57 158.82 39.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.507 1.123 . . . . 0.0 109.688 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -122.2 101.02 7.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -95.96 167.4 11.26 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.042 0.537 . . . . 0.0 110.552 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -129.87 156.61 44.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -50.11 122.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 122.664 0.386 . . . . 0.0 110.933 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.27 60.47 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.698 1.142 . . . . 0.0 114.437 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -93.28 167.66 11.6 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.866 1.333 . . . . 0.0 112.107 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -140.37 158.88 43.34 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -124.33 156.37 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 126.66 1.984 . . . . 0.0 108.136 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -125.19 134.01 52.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.797 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -124.02 132.12 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.37 1.068 . . . . 0.0 109.111 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.29 -128.92 33.97 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -125.08 -2.92 7.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.921 0.888 . . . . 0.0 112.496 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.59 -19.77 1.84 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.1 142.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 118.547 0.612 . . . . 0.0 111.101 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -134.14 143.13 47.76 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.365 1.066 . . . . 0.0 109.826 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -125.71 141.74 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.026 1.33 . . . . 0.0 108.221 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -139.49 137.94 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.576 0.626 . . . . 0.0 110.505 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.65 99.69 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -27.07 60.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.804 -0.56 . . . . 0.0 110.58 -175.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.72 -170.5 42.35 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 118.001 0.364 . . . . 0.0 113.833 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.91 156.28 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.033 0.933 . . . . 0.0 111.478 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -140.94 68.57 1.34 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.704 1.201 . . . . 0.0 109.726 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.7 -117.08 5.62 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -83.83 -3.0 57.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.207 0.603 . . . . 0.0 111.985 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -99.72 160.85 13.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.849 0.833 . . . . 0.0 112.723 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -141.28 128.67 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 126.09 1.756 . . . . 0.0 108.403 -170.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -104.09 102.0 11.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.213 1.005 . . . . 0.0 110.111 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.76 131.7 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.0 109.406 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.96 140.2 15.05 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 123.975 0.798 . . . . 0.0 111.62 170.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -116.41 132.38 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.688 1.595 . . . . 0.0 107.9 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -125.31 74.93 1.42 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.169 0.985 . . . . 0.0 109.404 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.31 154.13 39.17 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.925 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -71.93 154.64 58.16 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.486 2.124 . . . . 0.0 110.251 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -69.48 -2.48 11.34 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.65 -25.39 64.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 111.757 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -116.33 143.97 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.869 0.842 . . . . 0.0 111.778 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 142.98 32.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.056 0.942 . . . . 0.0 110.799 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.34 128.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.539 0.336 . . . . 0.0 110.343 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -151.38 -176.0 5.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.523 1.129 . . . . 0.0 110.031 -169.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -130.18 167.15 18.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.18 -26.89 68.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.64 -27.33 67.71 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 112.627 171.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -113.78 -23.66 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.379 1.472 . . . . 0.0 110.829 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.35 -31.38 72.52 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.519 -0.738 . . . . 0.0 110.497 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -75.53 -13.85 60.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.688 0.795 . . . . 0.0 111.456 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.46 -32.36 37.2 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.616 1.166 . . . . 0.0 110.642 169.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.84 -53.2 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.695 0.798 . . . . 0.0 108.986 172.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -84.12 5.27 26.79 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.144 0.578 . . . . 0.0 112.302 -173.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.08 72.34 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.135 0.574 . . . . 0.0 111.445 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.24 19.46 0.02 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.522 0.582 . . . . 0.0 113.519 172.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.7 94.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 t 104.43 155.77 0.01 OUTLIER 'General case' 0 C--O 1.23 0.075 0 C-N-CA 129.267 3.027 . . . . 0.0 111.848 -168.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.21 155.18 82.27 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 124.249 1.02 . . . . 0.0 111.902 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -71.47 165.75 31.5 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.023 2.482 . . . . 0.0 112.683 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 124.881 1.272 . . . . 0.0 111.731 -177.611 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.638 -0.22 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.2 122.56 44.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.505 1.522 . . . . 0.0 107.661 168.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -120.09 138.82 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 122.887 0.475 . . . . 0.0 111.504 -166.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -133.5 143.37 48.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.576 1.151 . . . . 0.0 110.191 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.7 m -119.74 104.97 10.7 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -130.12 162.49 28.71 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.435 1.094 . . . . 0.0 110.654 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -94.45 167.26 11.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.09 137.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.19 -1.75 82.93 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.073 -0.848 . . . . 0.0 114.283 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.84 158.5 22.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.034 1.417 . . . . 0.0 112.188 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -125.28 142.64 51.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.412 1.085 . . . . 0.0 111.338 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.0 mt -135.63 153.79 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.321 1.448 . . . . 0.0 109.406 -169.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -138.57 144.56 39.89 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.469 -0.769 . . . . 0.0 112.901 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -135.42 128.35 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 124.345 1.058 . . . . 0.0 109.633 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 -139.32 48.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -121.69 4.97 10.04 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.914 0.886 . . . . 0.0 112.647 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -113.74 -22.77 10.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.49 137.04 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 118.97 0.805 . . . . 0.0 111.351 -169.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -132.47 150.54 52.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.882 1.273 . . . . 0.0 109.795 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -130.01 146.42 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 126.141 1.776 . . . . 0.0 107.978 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -140.17 129.09 23.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.055 -0.403 . . . . 0.0 109.956 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -81.61 104.84 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -30.12 59.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.943 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.76 -178.69 34.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 113.378 0.111 . . . . 0.0 113.378 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.85 150.94 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.184 0.594 . . . . 0.0 110.78 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.1 t -133.94 75.18 1.58 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.459 1.104 . . . . 0.0 108.589 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.31 -114.43 3.95 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.04 7.38 43.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.472 0.709 . . . . 0.0 110.946 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -99.03 156.02 17.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.171 0.988 . . . . 0.0 110.258 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.82 114.49 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.556 1.143 . . . . 0.0 108.977 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.42 122.04 31.47 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.41 1.084 . . . . 0.0 109.641 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.98 130.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.184 0.994 . . . . 0.0 109.945 -169.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 138.87 14.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 169.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -123.26 131.09 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.773 0.797 . . . . 0.0 109.058 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -132.23 79.23 1.85 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.765 -167.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.27 156.92 71.7 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 114.097 -1.411 . . . . 0.0 109.762 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.98 154.25 52.1 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.75 1.633 . . . . 0.0 109.766 168.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.21 -0.88 8.71 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.909 0.884 . . . . 0.0 111.562 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.75 -25.71 67.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.101 1.76 . . . . 0.0 111.102 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 m -108.46 144.16 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.371 1.068 . . . . 0.0 109.937 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -85.5 141.73 29.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.292 0.568 . . . . 0.0 111.183 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.82 94.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.094 -166.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.471 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -148.88 159.42 44.2 Favored 'General case' 0 CA--C 1.523 -0.071 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -65.21 158.31 26.49 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.028 0.531 . . . . 0.0 111.636 169.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -49.49 -45.22 46.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.8 0.84 . . . . 0.0 112.453 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.08 -47.92 53.4 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.011 0.524 . . . . 0.0 110.688 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -73.58 -49.3 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 125.031 1.332 . . . . 0.0 110.245 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -51.26 -37.41 47.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.534 1.134 . . . . 0.0 111.676 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -68.92 -26.18 64.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.58 0.752 . . . . 0.0 112.877 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -76.2 -44.09 39.39 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.041 0.837 . . . . 0.0 109.742 171.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.2 -38.32 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.235 0.614 . . . . 0.0 109.478 -173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -81.48 0.34 38.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.88 -18.71 58.16 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.23 0.612 . . . . 0.0 111.651 169.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.9 50.61 0.1 Allowed Glycine 0 C--N 1.337 0.635 0 C-N-CA 123.597 0.618 . . . . 0.0 113.547 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.52 -176.78 2.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.515 0.657 . . . . 0.0 112.307 -168.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 52.7 p -130.95 -173.55 3.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.951 1.3 . . . . 0.0 109.518 168.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.55 122.95 3.62 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.799 0.84 . . . . 0.0 111.217 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -52.88 -41.5 70.23 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.994 3.129 . . . . 0.0 113.861 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 123.239 0.616 . . . . 0.0 110.677 -169.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpp . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 110.94 21.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.02 135.18 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.744 0.818 . . . . 0.0 109.846 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.46 134.97 50.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.969 0.908 . . . . 0.0 108.939 168.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -90.37 145.96 24.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.06 123.83 11.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.943 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.8 tptm -75.18 151.55 38.49 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m -58.24 137.91 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.439 -0.788 . . . . 0.0 112.057 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -5.1 84.88 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.932 1.253 . . . . 0.0 114.315 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -88.4 176.51 7.16 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.465 1.633 . . . . 0.0 112.075 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -133.24 160.59 36.84 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -141.28 156.47 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.193 2.197 . . . . 0.0 108.62 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -128.53 148.79 50.78 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.752 1.221 . . . . 0.0 111.929 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.22 138.22 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.897 1.279 . . . . 0.0 109.318 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.7 -136.2 50.05 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.21 10.04 8.04 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.257 1.023 . . . . 0.0 111.454 168.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.55 -16.72 6.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.729 1.211 . . . . 0.0 113.128 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.49 138.1 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.949 0.795 . . . . 0.0 111.411 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 18.5 m -126.09 144.24 50.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.827 1.251 . . . . 0.0 109.513 173.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -124.53 140.55 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.012 1.325 . . . . 0.0 108.471 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -135.06 128.61 32.6 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.685 0.394 . . . . 0.0 110.565 -176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.73 114.81 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.6 mt -88.57 -38.79 14.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.943 -0.473 . . . . 0.0 109.853 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.0 -174.84 43.54 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.335 -0.459 . . . . 0.0 114.215 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.4 151.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.445 0.698 . . . . 0.0 111.68 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -144.63 107.97 4.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 109.082 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -96.5 -7.1 35.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -79.98 155.01 27.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.966 0.889 . . . . 0.0 111.678 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -139.93 115.62 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -79.7 112.26 16.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 mt -117.66 128.03 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.964 1.306 . . . . 0.0 109.893 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.55 143.58 16.8 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.292 0.948 . . . . 0.0 112.403 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -129.98 122.24 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 125.109 1.363 . . . . 0.0 108.521 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -121.55 98.1 5.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.232 0.613 . . . . 0.0 109.981 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.77 157.05 79.25 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.431 1.092 . . . . 0.0 109.821 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -62.82 151.8 82.16 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.377 2.051 . . . . 0.0 110.827 170.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.6 -1.05 4.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 172.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.94 -19.96 66.04 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.804 1.241 . . . . 0.0 111.443 168.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.82 148.78 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.118 0.967 . . . . 0.0 110.74 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.51 156.94 19.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.768 0.427 . . . . 0.0 111.415 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.56 134.96 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.366 0.666 . . . . 0.0 109.324 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -154.64 162.98 40.89 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 123.326 0.65 . . . . 0.0 111.458 -174.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -72.9 154.52 40.54 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 165.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.86 -30.05 71.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.101 0.864 . . . . 0.0 111.669 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.93 -24.82 63.42 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.2 -36.4 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.628 0.771 . . . . 0.0 110.369 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -54.31 -37.82 65.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.414 1.086 . . . . 0.0 112.068 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.62 -22.34 66.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.299 0.64 . . . . 0.0 112.607 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -72.6 -40.76 66.28 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.756 171.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.86 -21.42 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -94.82 2.2 55.45 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.578 1.151 . . . . 0.0 113.153 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.01 4.11 3.77 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.67 25.1 5.84 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.91 0.767 . . . . 0.0 112.838 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.91 -23.06 66.55 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.706 0.753 . . . . 0.0 112.193 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 28.1 p -79.85 -12.94 59.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.296 1.038 . . . . 0.0 112.826 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.33 81.37 12.5 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 123.852 0.861 . . . . 0.0 110.669 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.15 170.03 5.49 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.477 2.785 . . . . 0.0 113.127 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.456 -0.152 0 C-N-CA 124.374 1.07 . . . . 0.0 112.467 177.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' D' ' 3' ' ' ILE . 1.8 ttp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.803 -0.073 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.01 116.36 31.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.585 1.554 . . . . 0.0 108.746 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.404 ' CD1' ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -103.14 131.08 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.965 1.306 . . . . 0.0 108.845 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 41.2 mt -115.92 172.89 6.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.905 1.282 . . . . 0.0 110.01 172.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -132.23 109.82 10.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.683 169.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -121.81 137.94 54.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.835 1.654 . . . . 0.0 109.167 -169.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -101.11 163.67 12.17 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 120.454 1.479 . . . . 0.0 113.717 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.41 137.28 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.613 -169.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.54 86.94 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.525 1.059 . . . . 0.0 114.121 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -87.99 175.97 7.53 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.87 1.335 . . . . 0.0 111.864 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -136.34 163.27 30.82 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -150.96 159.42 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 127.99 2.516 . . . . 0.0 108.398 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -138.62 153.0 48.6 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.035 0.934 . . . . 0.0 112.635 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -133.66 139.14 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.889 1.275 . . . . 0.0 108.988 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.32 -134.54 52.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.53 9.97 5.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.348 1.059 . . . . 0.0 112.451 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.03 -13.16 5.17 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.21 137.44 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.019 0.827 . . . . 0.0 110.965 -169.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -121.7 145.49 47.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.645 1.178 . . . . 0.0 109.755 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -129.12 139.68 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 108.203 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -137.34 130.75 31.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.755 0.422 . . . . 0.0 110.003 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.97 87.62 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.0 -29.25 69.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.801 -0.562 . . . . 0.0 112.02 -168.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.5 40.04 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 118.168 0.44 . . . . 0.0 113.764 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.18 159.14 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.332 0.653 . . . . 0.0 110.902 169.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -144.83 76.04 1.48 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.874 0.87 . . . . 0.0 109.035 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.33 -116.78 4.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.484 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.4 mp0 -91.93 -9.3 43.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.505 172.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.58 157.4 35.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 121.584 0.706 . . . . 0.0 111.706 169.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -134.81 125.08 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 114.196 -1.365 . . . . 0.0 108.462 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -81.47 114.65 20.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 168.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -116.17 122.45 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 123.655 0.782 . . . . 0.0 108.938 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.1 131.15 10.5 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.68 139.99 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.999 0.92 . . . . 0.0 108.812 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.11 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.657 0.783 . . . . 0.0 109.154 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.46 157.81 55.34 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 124.823 1.249 . . . . 0.0 109.64 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.31 151.06 84.68 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.013 1.808 . . . . 0.0 110.513 169.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.39 -1.0 7.23 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.09 -23.17 66.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.744 1.218 . . . . 0.0 111.534 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.12 159.67 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.167 0.987 . . . . 0.0 110.902 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.11 157.08 16.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.485 0.714 . . . . 0.0 112.251 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.84 125.28 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 168.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -148.58 165.37 31.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.332 0.653 . . . . 0.0 111.616 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -65.58 157.93 28.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.107 0.563 . . . . 0.0 110.566 169.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.41 -40.49 96.68 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.37 -0.831 . . . . 0.0 111.7 -176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -70.4 -9.07 55.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . 0.458 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 26.6 mm -102.02 -44.76 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.588 1.155 . . . . 0.0 110.799 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -45.36 -37.72 5.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.446 1.898 . . . . 0.0 112.658 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -57.89 -21.03 41.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.857 1.263 . . . . 0.0 113.68 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -50.58 10.74 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 119.053 0.842 . . . . 0.0 110.544 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -66.58 -18.97 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.232 1.413 . . . . 0.0 111.852 -175.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -95.46 -6.96 39.55 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -54.64 2.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.746 0.818 . . . . 0.0 113.035 -174.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.53 -3.61 0.11 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.644 0.64 . . . . 0.0 114.183 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 77.6 144.26 0.08 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.556 2.343 . . . . 0.0 113.571 166.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 87.7 m -140.81 145.6 36.5 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.88 1.272 . . . . 0.0 109.188 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.89 79.27 0.35 Allowed Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.203 1.401 . . . . 0.0 112.391 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -66.22 -177.41 0.83 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.926 3.084 . . . . 0.0 114.668 -172.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 N--CA 1.456 -0.172 0 C-N-CA 125.194 1.398 . . . . 0.0 112.531 175.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -139.68 113.9 8.98 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.625 1.97 . . . . 0.0 106.876 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.84 142.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.323 1.049 . . . . 0.0 110.385 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -139.64 159.8 41.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.373 1.469 . . . . 0.0 110.871 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -127.48 106.2 9.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 165.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -104.94 162.24 13.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.233 1.813 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -111.68 171.68 7.35 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 168.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.22 140.27 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.035 0.445 . . . . 0.0 112.136 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.94 -5.89 84.15 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.157 0.884 . . . . 0.0 114.793 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -90.51 170.42 10.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.083 1.442 . . . . 0.0 112.799 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 67.1 m -131.53 151.67 51.38 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.795 0.838 . . . . 0.0 112.366 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mt -131.32 151.74 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.876 2.07 . . . . 0.0 107.999 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.44 146.03 47.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.257 0.623 . . . . 0.0 111.152 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -133.18 133.38 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.587 1.155 . . . . 0.0 108.942 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -132.78 52.73 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.96 10.03 5.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.723 0.809 . . . . 0.0 112.65 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -125.11 -13.54 6.76 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.59 133.98 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.107 0.867 . . . . 0.0 110.873 -171.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -124.07 142.34 51.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.379 1.072 . . . . 0.0 109.97 173.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mm -121.88 134.83 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.695 1.198 . . . . 0.0 108.388 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 17.4 m -133.69 130.98 38.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.274 0.63 . . . . 0.0 110.245 -171.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -89.23 114.45 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 O-C-N 121.891 -0.506 . . . . 0.0 109.676 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.66 -32.36 31.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.559 0.344 . . . . 0.0 110.298 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.55 178.9 28.53 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.073 0.368 . . . . 0.0 113.696 168.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.91 153.81 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.57 0.748 . . . . 0.0 112.171 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -143.42 89.9 2.12 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.023 1.329 . . . . 0.0 108.581 169.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.49 -113.65 6.07 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.843 -0.536 . . . . 0.0 111.765 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.02 -21.42 21.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 117.576 0.688 . . . . 0.0 111.828 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -74.52 143.92 44.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 109.821 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.46 116.52 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -89.06 119.22 29.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.27 134.08 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.277 1.031 . . . . 0.0 110.177 -168.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.3 144.77 17.44 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.408 1.004 . . . . 0.0 111.883 171.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.97 123.81 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.009 1.324 . . . . 0.0 108.91 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -123.7 99.1 6.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.022 0.529 . . . . 0.0 109.613 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.0 76.55 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.331 1.052 . . . . 0.0 110.435 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.97 158.67 32.85 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.67 2.247 . . . . 0.0 111.904 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -68.5 -0.88 5.54 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.498 0.719 . . . . 0.0 112.471 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.98 -25.31 67.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.176 1.39 . . . . 0.0 111.761 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.42 156.1 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.117 0.967 . . . . 0.0 110.879 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.73 156.36 19.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.53 171.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.51 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.868 0.467 . . . . 0.0 110.561 169.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -154.52 168.64 26.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.168 0.987 . . . . 0.0 110.876 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -67.51 161.76 24.79 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.951 -0.468 . . . . 0.0 109.753 167.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.0 -40.92 77.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.348 1.059 . . . . 0.0 111.505 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -91.1 -35.99 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.992 0.917 . . . . 0.0 110.181 -173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -50.22 -36.02 29.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.009 1.323 . . . . 0.0 112.821 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -58.22 -22.02 50.25 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.302 1.041 . . . . 0.0 112.517 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -75.96 -49.71 16.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.414 0.686 . . . . 0.0 109.668 175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.41 -23.1 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.042 1.337 . . . . 0.0 110.852 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -85.24 -43.26 13.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 169.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.64 -30.76 9.76 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.42 -18.72 1.6 Allowed Glycine 0 CA--C 1.526 0.719 0 C-N-CA 124.077 0.846 . . . . 0.0 113.039 -169.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.92 -170.69 0.14 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.933 2.493 . . . . 0.0 112.525 169.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -81.69 -15.53 54.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 129.11 12.61 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.454 1.102 . . . . 0.0 110.026 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -66.86 -179.27 1.6 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.988 2.458 . . . . 0.0 114.05 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t0 . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 124.477 1.111 . . . . 0.0 112.509 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.836 -0.061 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.33 149.82 21.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.713 0.405 . . . . 0.0 111.385 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.47 134.84 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.848 0.859 . . . . 0.0 108.691 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.09 164.98 23.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.366 1.467 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.39 101.08 6.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . 0.446 HH12 ' N6 ' ' G' ' 38' ' ' ' A' . 0.3 OUTLIER -106.16 133.72 50.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.13 1.372 . . . . 0.0 111.14 -176.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -94.89 164.69 12.81 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.319 0.963 . . . . 0.0 113.311 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.36 135.04 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.285 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.96 -6.4 69.42 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.438 1.018 . . . . 0.0 114.113 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -99.94 162.79 12.77 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.953 1.377 . . . . 0.0 111.792 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 44.9 m -128.85 156.21 44.0 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -136.69 159.18 37.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 127.056 2.143 . . . . 0.0 108.131 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.43 148.03 51.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.869 0.868 . . . . 0.0 111.884 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -136.5 139.02 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.452 1.101 . . . . 0.0 109.279 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.35 -138.25 48.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -120.56 10.04 11.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.858 0.863 . . . . 0.0 111.849 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.66 -17.95 1.45 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.53 137.7 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.063 0.847 . . . . 0.0 110.645 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -128.47 141.6 51.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.251 1.021 . . . . 0.0 109.994 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.03 141.76 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.599 1.56 . . . . 0.0 108.156 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 60.3 m -137.51 130.41 30.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.943 0.497 . . . . 0.0 110.31 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.07 109.9 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -82.41 -27.94 31.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.535 0.734 . . . . 0.0 111.175 -172.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.93 -173.14 35.19 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.07 0.367 . . . . 0.0 113.468 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.99 157.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.457 0.703 . . . . 0.0 112.394 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -150.04 90.08 1.65 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.15 1.38 . . . . 0.0 109.404 168.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.28 -103.33 1.69 Allowed Glycine 0 CA--C 1.525 0.659 0 O-C-N 121.841 -0.537 . . . . 0.0 111.767 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -99.03 -16.32 18.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 117.903 0.851 . . . . 0.0 110.936 168.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -70.57 143.74 51.47 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.529 0.681 . . . . 0.0 109.499 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 63.1 t -141.1 105.94 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -84.95 127.11 34.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -133.24 138.45 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.758 0.823 . . . . 0.0 110.117 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.89 138.28 14.77 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.34 144.93 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.255 1.022 . . . . 0.0 109.297 172.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -133.75 108.77 8.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.044 0.938 . . . . 0.0 108.945 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.38 158.46 74.47 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.017 0.927 . . . . 0.0 111.182 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.87 159.67 40.86 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.718 2.279 . . . . 0.0 111.977 172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.08 -17.13 23.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.359 1.063 . . . . 0.0 113.305 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -10.49 59.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.178 1.391 . . . . 0.0 112.271 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -128.74 163.15 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.039 0.935 . . . . 0.0 110.795 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.552 0.741 . . . . 0.0 111.32 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.89 122.32 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.14 0.576 . . . . 0.0 110.722 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -151.29 172.5 15.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.079 0.952 . . . . 0.0 110.651 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.56 154.19 42.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.55 -25.36 67.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.082 0.553 . . . . 0.0 111.899 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -56.56 -46.86 80.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.476 1.11 . . . . 0.0 111.485 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.83 -33.02 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.014 0.925 . . . . 0.0 110.282 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -52.78 -36.13 57.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.374 1.069 . . . . 0.0 112.333 176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -66.89 -28.06 68.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.344 0.657 . . . . 0.0 112.569 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -75.07 -22.94 58.02 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.273 0.629 . . . . 0.0 111.192 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -96.45 -34.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.15 1.38 . . . . 0.0 110.017 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -81.4 3.12 25.6 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.663 0.785 . . . . 0.0 113.062 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.52 -12.68 23.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.19 38.56 0.2 Allowed Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.502 -0.61 . . . . 0.0 113.45 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.06 -40.83 0.09 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -168.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 45.87 43.25 9.92 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.77 131.23 5.76 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.042 0.937 . . . . 0.0 110.142 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -63.89 176.76 2.21 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.804 2.336 . . . . 0.0 113.673 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.47 1.108 . . . . 0.0 112.578 178.101 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 O4'-C1'-N19 111.483 3.283 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 111.238 3.038 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 O4'-C1'-N19 112.649 4.449 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 111.995 3.795 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.761 3.561 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C4'-C3'-C2' 99.59 -3.11 . 0.151 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.458 ' C2 ' HD11 ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 104.313 3.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O5'-C5'-C4' 113.374 2.267 . 0.058 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 1 C5'-C4'-C3' 109.186 -4.21 . 0.154 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.321 3.121 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.4 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 110.069 -3.621 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 C4'-C3'-C2' 98.278 -4.422 . 0.091 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 99.924 -2.776 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.654 3.454 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 110.903 2.703 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 100.209 -2.491 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 O4'-C1'-N19 112.016 3.816 . 0.298 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 2 O4'-C1'-N19 113.006 4.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 112.197 3.997 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 112.312 4.112 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-O4' 112.767 2.548 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.594 4.394 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 O4'-C1'-N19 112.247 4.047 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 N19-C1'-C2' 109.52 -2.425 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.313 3.113 . 0.522 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C5'-C4'-C3' 111.367 -2.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C3'-C2'-C1' 99.481 -2.243 . 0.123 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 111.958 -2.361 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 111.876 3.676 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C4'-C3'-C2' 99.854 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O4'-C1'-N19 111.196 2.996 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.356 4.156 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C4'-C3'-C2' 99.24 -3.46 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C4'-C3'-C2' 99.699 -3.001 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.138 3.938 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.512 2 O4'-C1'-N19 115.144 6.944 . 0.718 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.446 ' N6 ' HH12 ' F' ' 6' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 C5'-C4'-C3' 108.899 -4.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 103.706 2.451 . 0.414 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 1 O4'-C1'-N19 113.881 5.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 1 C5'-C4'-C3' 109.257 -4.162 . 0.049 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.448 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.261 2 O4'-C1'-N19 113.738 5.538 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.448 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.227 4.027 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.047 3.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.672 4.472 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.99 -2.71 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.39 4.19 OUTLIER-EPSILON 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.397 1 P-O3'-C3' 125.744 5.036 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.429 " H2'" ' N3 ' ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 C3'-C2'-C1' 105.4 4.333 . 0.23 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C1'-N19 111.21 3.01 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C5'-C4'-C3' 111.052 -2.965 . 0.406 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 1 O5'-C5'-C4' 116.705 4.647 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 110.316 2.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 112.409 4.209 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C4'-C3'-C2' 99.962 -2.738 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.813 2.613 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O4'-C1'-N19 112.13 3.93 . 0.66 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 113.472 5.272 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 112.117 3.917 . 0.0 OUTLIER '7D dist 2h' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.193 -3.507 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.219 4.019 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.69 3.49 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C5'-C4'-C3' 109.825 -3.783 . 0.166 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 99.093 -3.607 . 0.013 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 P-O3'-C3' 122.702 2.502 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C5'-C4'-C3' 110.949 -3.034 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 C3'-C2'-C1' 96.992 -5.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-C3' 110.019 -3.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-C3' 111.783 -2.478 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 112.116 3.916 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.3 3.1 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 O4'-C1'-N19 112.296 4.096 . 0.143 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 110.73 23.02 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.685 0.794 . . . . 0.0 109.454 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.68 135.66 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.575 0.75 . . . . 0.0 109.246 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.83 152.03 51.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.503 1.121 . . . . 0.0 109.635 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -113.48 100.94 8.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 135.14 54.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.561 0.744 . . . . 0.0 110.451 -168.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.58 154.08 18.86 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.3 t -48.4 125.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.148 0.579 . . . . 0.0 111.005 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.98 -2.87 61.96 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 114.36 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -100.44 170.2 8.57 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.825 1.312 . . . . 0.0 111.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -136.21 150.4 48.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.4 mm -109.06 154.11 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 125.571 1.548 . . . . 0.0 109.53 169.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -126.18 137.2 53.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.641 1.176 . . . . 0.0 109.967 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mt -131.64 131.26 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.861 0.864 . . . . 0.0 109.648 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.35 -126.42 28.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -129.99 -0.82 4.7 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.128 0.971 . . . . 0.0 111.922 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -137.98 -9.16 1.57 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -168.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -113.9 142.27 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.831 0.852 . . . . 0.0 110.443 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m -140.84 150.42 43.26 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.967 0.907 . . . . 0.0 109.168 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -132.48 143.21 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.733 1.213 . . . . 0.0 108.371 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 m -137.97 132.85 32.93 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.636 0.653 . . . . 0.0 110.823 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.2 96.62 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 169.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.85 -28.9 66.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 122.016 -0.428 . . . . 0.0 110.404 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.08 -167.97 41.0 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.309 0.481 . . . . 0.0 113.382 170.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.64 148.42 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.628 0.771 . . . . 0.0 111.133 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -140.72 61.08 1.51 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.819 1.247 . . . . 0.0 110.216 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.43 -122.05 6.3 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -76.27 -10.52 59.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.224 0.609 . . . . 0.0 111.441 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -98.96 158.1 15.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.52 0.676 . . . . 0.0 111.771 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -139.81 135.99 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.536 1.534 . . . . 0.0 109.188 -169.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.1 101.91 10.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.987 0.915 . . . . 0.0 109.558 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -121.02 136.3 58.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.087 0 C-N-CA 123.729 0.812 . . . . 0.0 111.116 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.39 146.4 18.17 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.584 1.088 . . . . 0.0 112.206 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -112.93 137.98 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.801 1.64 . . . . 0.0 108.427 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -124.04 74.99 1.33 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.721 1.208 . . . . 0.0 109.416 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.51 154.18 45.59 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.69 174.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.67 157.9 43.82 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.64 2.227 . . . . 0.0 110.741 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -68.67 -1.59 7.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.99 -30.95 71.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.792 0.837 . . . . 0.0 111.495 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.98 143.87 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.845 0.831 . . . . 0.0 111.513 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 141.98 28.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.926 0.89 . . . . 0.0 110.563 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 m -133.61 123.83 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.73 0.412 . . . . 0.0 109.982 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -152.21 159.34 43.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.791 0.436 . . . . 0.0 111.429 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -79.64 152.65 29.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.525 0.73 . . . . 0.0 112.295 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.23 -39.18 91.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.36 0.93 15.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.03 -26.03 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 125.12 1.368 . . . . 0.0 111.175 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.501 -0.75 . . . . 0.0 110.43 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -74.14 -12.94 60.74 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.575 0.75 . . . . 0.0 111.845 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -80.26 -33.69 37.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.295 1.038 . . . . 0.0 110.855 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.56 -53.48 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.063 0.945 . . . . 0.0 108.631 173.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -83.91 5.29 25.93 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.0 -21.6 59.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.872 0.469 . . . . 0.0 111.387 168.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.02 6.36 0.21 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.513 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.24 90.6 8.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.3 p 141.06 133.23 0.0 OUTLIER 'General case' 0 C--N 1.337 0.05 0 C-N-CA 129.762 3.225 . . . . 0.0 109.233 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.1 152.2 47.48 Favored Pre-proline 0 N--CA 1.455 -0.201 0 C-N-CA 123.233 0.613 . . . . 0.0 110.698 167.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -75.9 162.99 34.1 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 123.077 2.518 . . . . 0.0 111.86 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 124.652 1.181 . . . . 0.0 111.592 -178.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 tpp . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.97 119.86 39.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 168.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.0 mt -119.19 142.72 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.78 0.432 . . . . 0.0 111.994 -166.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.47 149.51 52.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.598 1.159 . . . . 0.0 110.468 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.1 m -112.09 103.72 11.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 169.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -110.26 173.0 6.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.741 0.817 . . . . 0.0 109.933 -171.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -118.76 163.32 17.04 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.598 0.359 . . . . 0.0 111.754 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.21 125.13 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.567 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.29 -6.25 55.85 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.84 -0.978 . . . . 0.0 115.211 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.27 155.48 36.65 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 119.548 1.674 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -131.25 146.58 52.37 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.309 1.044 . . . . 0.0 111.324 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.4 mm -135.27 154.26 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 126.563 1.945 . . . . 0.0 109.137 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -127.87 144.85 51.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.446 1.099 . . . . 0.0 110.997 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.37 129.35 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.501 1.121 . . . . 0.0 109.357 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -134.34 52.46 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.01 5.07 6.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.772 0.829 . . . . 0.0 112.835 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -115.23 -20.09 10.52 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.25 137.25 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 119.024 0.829 . . . . 0.0 111.286 -169.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -133.33 149.45 51.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.864 1.265 . . . . 0.0 109.932 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.16 144.49 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.273 1.829 . . . . 0.0 108.001 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -141.04 134.06 29.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.906 0.482 . . . . 0.0 110.516 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.75 116.76 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 169.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -84.29 -32.96 24.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.081 -0.387 . . . . 0.0 111.037 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.3 35.79 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 122.58 0.134 . . . . 0.0 112.91 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -109.97 148.81 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.195 0.521 . . . . 0.0 110.74 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -130.29 73.28 1.52 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.936 1.294 . . . . 0.0 108.582 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.67 -113.15 3.67 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.446 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.44 13.73 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.249 0.547 . . . . 0.0 111.678 170.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -99.0 156.09 17.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.308 1.043 . . . . 0.0 109.199 168.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -137.79 118.95 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.08 118.32 27.57 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.487 1.115 . . . . 0.0 109.712 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.09 136.45 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.559 1.143 . . . . 0.0 109.877 -169.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.28 141.22 15.18 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 123.758 0.694 . . . . 0.0 111.859 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -124.17 132.98 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 109.447 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 75.92 1.65 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.807 -168.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.01 158.14 53.29 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.525 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' B' ' 39' ' ' ASP . 31.6 Cg_endo -60.79 155.67 47.66 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.761 1.641 . . . . 0.0 109.877 168.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -0.83 8.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 122.043 0.925 . . . . 0.0 112.094 173.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 37' ' ' PRO . 2.6 t70 -65.83 -22.99 66.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.991 1.716 . . . . 0.0 110.897 172.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.32 144.09 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.64 1.176 . . . . 0.0 109.753 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.01 140.96 29.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.342 0.592 . . . . 0.0 111.253 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.438 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 7.7 t -142.51 98.36 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.254 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.452 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -148.78 158.63 44.29 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.793 0.437 . . . . 0.0 111.978 179.142 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 33.0 ptt-85 -64.66 157.57 26.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.23 0.612 . . . . 0.0 111.434 169.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -55.67 -40.92 72.93 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.224 0.61 . . . . 0.0 112.633 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.77 -19.57 65.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -89.96 -49.44 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.325 0.65 . . . . 0.0 110.51 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.51 -42.01 22.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.618 0.767 . . . . 0.0 111.024 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.33 -10.18 56.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -91.97 -28.81 16.99 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 119.309 0.958 . . . . 0.0 112.49 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.81 -62.05 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.696 0.798 . . . . 0.0 112.698 -166.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.59 1.57 1.2 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -19.17 60.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.325 170.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.0 29.07 0.05 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.054 -0.859 . . . . 0.0 115.101 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -168.97 -172.95 1.68 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.524 1.162 . . . . 0.0 112.847 -167.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 22.1 p -130.45 -171.74 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.86 1.264 . . . . 0.0 108.902 167.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.07 125.61 2.06 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 112.042 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.36 -175.31 0.52 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.072 2.514 . . . . 0.0 113.099 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.097 0.959 . . . . 0.0 112.466 171.409 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 107.26 14.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 134.88 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.724 0.81 . . . . 0.0 109.521 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.55 134.97 48.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.022 0.929 . . . . 0.0 109.316 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.5 p -92.47 141.13 28.85 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.202 169.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -136.72 144.24 43.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.998 0.519 . . . . 0.0 110.209 171.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.488 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.4 tptm -82.28 156.88 24.08 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 167.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.01 134.12 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 O-C-N 121.582 -0.699 . . . . 0.0 111.527 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.78 81.0 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.543 1.068 . . . . 0.0 114.441 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -89.1 175.3 7.44 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.235 1.517 . . . . 0.0 112.495 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -135.06 157.79 46.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mt -139.75 159.24 27.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 127.814 2.446 . . . . 0.0 107.94 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.83 149.36 52.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.235 1.014 . . . . 0.0 112.298 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.82 141.99 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.639 1.176 . . . . 0.0 109.044 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.24 -136.72 50.72 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.808 0.718 . . . . 0.0 111.739 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -122.83 9.98 9.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.257 1.023 . . . . 0.0 111.274 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -132.25 -10.72 3.29 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.39 136.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 118.698 0.681 . . . . 0.0 110.921 -170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -124.57 138.52 54.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.577 1.151 . . . . 0.0 109.282 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.04 137.96 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.539 1.136 . . . . 0.0 108.384 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -132.23 130.94 41.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.671 0.389 . . . . 0.0 110.505 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -84.38 114.61 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 168.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.02 -34.32 16.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -174.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.64 -179.47 39.95 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 113.668 0.227 . . . . 0.0 113.668 168.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.02 154.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.67 0.788 . . . . 0.0 110.259 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -149.0 104.63 3.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -127.51 26.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.05 -0.38 55.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.995 0.918 . . . . 0.0 112.352 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.04 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.61 0.764 . . . . 0.0 110.664 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -135.15 122.28 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.2 1.0 . . . . 0.0 108.653 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -81.44 114.47 20.2 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.84 131.78 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.63 1.172 . . . . 0.0 109.612 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.0 137.99 14.23 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.17 0.89 . . . . 0.0 112.41 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.18 113.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.676 1.19 . . . . 0.0 108.766 176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -102.89 93.47 5.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.308 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.87 71.09 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.797 0.839 . . . . 0.0 110.52 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -61.89 153.77 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.926 2.417 . . . . 0.0 111.439 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.07 -0.74 2.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.93 -28.45 68.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.849 0.86 . . . . 0.0 110.92 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -105.62 140.02 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.604 0.762 . . . . 0.0 110.286 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 154.98 21.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -139.7 123.57 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.56 169.46 21.47 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -72.29 156.09 39.48 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.52 -35.78 74.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.696 0.68 . . . . 0.0 111.44 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.41 -23.82 62.82 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -92.1 -36.12 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.629 0.771 . . . . 0.0 110.393 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.16 -35.81 60.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.991 1.316 . . . . 0.0 112.372 -176.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -58.62 -30.02 66.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.883 0.873 . . . . 0.0 112.243 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.27 -37.44 80.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.621 0.769 . . . . 0.0 111.856 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.43 -20.01 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 O-C-N 121.941 -0.474 . . . . 0.0 109.827 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -91.34 -2.95 57.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.411 0.684 . . . . 0.0 112.247 172.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.64 -22.89 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.536 1.134 . . . . 0.0 112.716 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.04 137.34 4.75 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.72 169.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 110.731 -169.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 6.5 t -81.56 -16.28 52.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.55 135.82 25.79 Favored Pre-proline 0 N--CA 1.451 -0.388 0 C-N-CA 123.744 0.818 . . . . 0.0 110.587 173.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.93 -38.43 88.19 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.329 2.686 . . . . 0.0 112.883 171.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.453 -0.29 0 C-N-CA 124.375 1.07 . . . . 0.0 109.886 -170.668 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -106.29 112.24 25.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.48 1.112 . . . . 0.0 108.741 168.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.97 131.36 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.331 1.052 . . . . 0.0 109.128 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 29.4 mt -117.99 171.76 7.86 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.564 1.145 . . . . 0.0 110.25 172.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 109.77 10.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.234 169.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -117.4 132.11 56.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.667 1.187 . . . . 0.0 109.362 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -75.77 155.48 35.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.012 0.824 . . . . 0.0 110.819 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -54.37 137.96 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.507 171.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.78 86.72 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.535 1.064 . . . . 0.0 114.072 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -94.3 178.98 5.45 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.982 1.391 . . . . 0.0 112.241 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 65.2 m -135.04 158.97 42.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 50.9 mt -143.36 161.5 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.998 2.519 . . . . 0.0 108.368 -173.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -140.31 152.56 45.95 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.865 0.866 . . . . 0.0 112.522 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -135.93 142.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.74 1.216 . . . . 0.0 109.295 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.29 -138.27 49.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -123.39 9.91 9.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.274 1.029 . . . . 0.0 111.286 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.65 -11.29 3.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.927 0.891 . . . . 0.0 113.37 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.66 137.5 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.758 0.708 . . . . 0.0 110.591 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -122.57 149.2 44.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.471 1.108 . . . . 0.0 109.859 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -132.53 140.3 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.463 1.505 . . . . 0.0 107.871 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.56 129.19 26.3 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.54 87.63 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.73 -32.23 73.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.737 -0.602 . . . . 0.0 111.43 -169.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.65 -167.99 40.34 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 120.674 -0.774 . . . . 0.0 114.19 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -139.57 134.36 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.963 1.305 . . . . 0.0 110.138 -170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -144.26 100.56 3.56 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.976 0.91 . . . . 0.0 109.448 -171.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.2 -119.35 15.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.488 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -100.49 -3.36 30.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.594 0.757 . . . . 0.0 111.286 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -77.35 156.67 31.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.656 0.741 . . . . 0.0 112.026 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -136.19 125.06 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 114.381 -1.281 . . . . 0.0 108.376 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -83.14 114.26 21.2 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.114 0.566 . . . . 0.0 109.586 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -118.1 116.63 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.731 0.812 . . . . 0.0 109.389 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.79 135.47 12.87 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.089 0.852 . . . . 0.0 111.048 174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.87 138.82 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.015 0.926 . . . . 0.0 108.733 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.03 90.03 2.45 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.779 -0.576 . . . . 0.0 109.84 -173.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.79 157.92 55.9 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.413 1.085 . . . . 0.0 109.944 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 154.01 72.09 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.41 2.073 . . . . 0.0 110.905 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.53 -0.93 9.47 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.0 -20.91 66.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.337 1.055 . . . . 0.0 111.047 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -128.03 159.93 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.356 1.062 . . . . 0.0 110.862 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.49 157.1 16.67 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.448 0.699 . . . . 0.0 112.084 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.68 126.15 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 O-C-N 122.043 -0.411 . . . . 0.0 110.085 168.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -149.81 165.13 33.41 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.444 0.698 . . . . 0.0 111.824 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -62.51 157.81 19.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.898 0.479 . . . . 0.0 109.987 168.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -58.11 -38.01 75.67 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.748 0.419 . . . . 0.0 111.421 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.84 -19.8 64.27 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.869 0.868 . . . . 0.0 113.275 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mm -98.64 -41.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.424 1.09 . . . . 0.0 111.061 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -47.08 -39.51 13.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.6 1.56 . . . . 0.0 112.392 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -57.87 -21.0 40.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.706 1.202 . . . . 0.0 113.631 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -87.0 -44.35 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.904 0.881 . . . . 0.0 110.564 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' D' ' 55' ' ' LEU . 4.7 mp -67.7 -18.9 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.228 1.011 . . . . 0.0 111.242 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -98.85 -5.68 30.51 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.1 -48.7 3.02 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.79 -0.55 1.09 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.184 0.897 . . . . 0.0 113.201 -171.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 65.97 58.85 0.73 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.182 1.793 . . . . 0.0 111.927 166.12 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 50.4 p -70.67 -22.45 62.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.006 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.38 93.99 47.84 Favored Pre-proline 0 N--CA 1.45 -0.429 0 C-N-CA 124.508 1.123 . . . . 0.0 109.924 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.39 -171.72 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.807 3.005 . . . . 0.0 112.45 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.72 169.86 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ttt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tt -134.98 123.02 22.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 109.409 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.77 138.1 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.142 0.977 . . . . 0.0 109.742 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -132.39 164.32 26.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.613 1.565 . . . . 0.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -137.54 99.17 3.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 168.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -114.6 143.38 45.1 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.584 1.154 . . . . 0.0 112.616 -168.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -83.2 159.51 21.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.231 0.613 . . . . 0.0 111.48 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -59.95 136.31 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.365 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.35 85.14 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.289 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.31 165.36 14.45 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 119.034 1.417 . . . . 0.0 111.786 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -131.94 157.4 44.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.547 0.689 . . . . 0.0 112.352 -169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 35.2 mt -141.88 157.61 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 126.062 1.745 . . . . 0.0 108.113 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.88 148.76 44.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -137.51 139.31 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.915 1.286 . . . . 0.0 109.186 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.26 -134.79 48.37 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.33 9.95 6.73 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.032 0.933 . . . . 0.0 111.727 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.66 -5.59 1.97 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -170.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.84 135.76 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 118.908 0.776 . . . . 0.0 110.778 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -129.08 143.22 50.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.146 . . . . 0.0 109.971 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -123.02 142.15 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.53 1.532 . . . . 0.0 107.991 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -138.96 128.58 24.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.782 0.433 . . . . 0.0 110.216 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -76.74 112.5 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.3 -34.54 48.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.545 0.338 . . . . 0.0 110.357 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.55 -177.5 35.16 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.257 0.456 . . . . 0.0 113.199 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.55 157.83 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.372 0.669 . . . . 0.0 112.256 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.02 95.46 2.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.602 1.161 . . . . 0.0 109.078 169.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.75 -117.8 8.46 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.43 -21.05 22.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.35 0.575 . . . . 0.0 111.558 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.63 142.29 42.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.673 0.749 . . . . 0.0 110.75 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.84 115.25 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -172.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -87.98 122.25 31.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -129.45 130.69 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.871 0.869 . . . . 0.0 110.448 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 143.34 16.63 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.354 0.978 . . . . 0.0 111.83 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.6 mt -134.03 128.32 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.192 1.397 . . . . 0.0 108.834 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.9 100.8 5.81 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 155.3 74.7 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.493 1.117 . . . . 0.0 110.548 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.99 157.12 45.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.838 2.358 . . . . 0.0 112.031 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.98 -0.9 10.35 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.03 -23.46 66.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.53 1.132 . . . . 0.0 111.848 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -120.78 158.32 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.069 0.948 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 158.05 15.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.072 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.0 125.9 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.928 0.491 . . . . 0.0 110.201 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -150.45 168.55 23.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.379 1.072 . . . . 0.0 110.125 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -75.78 161.81 28.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.498 0.59 . . . . 0.0 109.581 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -61.59 -21.66 64.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.051 0.54 . . . . 0.0 112.195 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.53 -45.87 74.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.233 1.013 . . . . 0.0 111.455 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -29.67 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.636 0.775 . . . . 0.0 110.014 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -55.78 -38.45 69.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.926 -0.484 . . . . 0.0 111.983 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.82 -21.94 62.4 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -68.36 -29.43 68.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.648 0.658 . . . . 0.0 109.796 172.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' E' ' 55' ' ' LEU . 80.1 mt -91.28 -36.77 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.163 0.985 . . . . 0.0 110.77 -170.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -75.85 2.98 10.93 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.754 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.16 -18.64 63.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.472 1.109 . . . . 0.0 111.361 167.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.69 58.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.745 0.688 . . . . 0.0 113.54 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' E' ' 51' ' ' ILE . 81.5 mt -127.12 -15.76 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -59.29 -26.83 65.31 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.439 0.563 . . . . 0.0 112.295 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.82 128.41 26.02 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.498 1.119 . . . . 0.0 108.93 168.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -57.12 147.45 75.52 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.923 2.416 . . . . 0.0 112.905 173.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 168.632 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.942 -0.075 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.57 150.02 20.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.093 -0.38 . . . . 0.0 111.511 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.84 134.27 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -126.56 163.22 23.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.079 . . . . 0.0 109.72 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.61 97.6 5.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 109.701 169.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.89 132.39 51.19 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.612 1.565 . . . . 0.0 109.404 -171.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -97.15 165.39 12.08 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 119.677 1.126 . . . . 0.0 112.927 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -56.09 136.2 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.504 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.1 80.35 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.314 0.959 . . . . 0.0 114.165 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -94.0 167.65 11.46 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.613 1.207 . . . . 0.0 111.697 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -131.6 157.19 44.3 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -169.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 47.8 mt -139.13 156.53 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.323 1.849 . . . . 0.0 108.256 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -128.64 149.29 50.72 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.614 0.766 . . . . 0.0 112.261 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -135.44 144.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.781 1.233 . . . . 0.0 109.045 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.51 -132.1 51.49 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -129.13 9.95 5.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.431 0.692 . . . . 0.0 111.837 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -136.22 -10.66 1.96 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -170.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.66 137.66 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.609 0.64 . . . . 0.0 110.345 -174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -125.98 141.45 51.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 110.004 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.1 140.01 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.357 1.463 . . . . 0.0 108.405 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -133.75 129.42 36.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.402 0.681 . . . . 0.0 109.912 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.89 108.45 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.67 -28.45 36.78 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.134 0.573 . . . . 0.0 111.129 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -176.31 32.81 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 123.53 0.586 . . . . 0.0 112.92 169.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.37 154.04 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.162 0.585 . . . . 0.0 111.816 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -147.24 90.0 1.84 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.816 1.246 . . . . 0.0 108.707 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.03 -126.39 34.0 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -79.43 -16.72 55.67 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.05 141.92 30.81 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.583 0.706 . . . . 0.0 110.446 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.6 t -128.73 119.78 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -87.0 126.91 35.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.468 0.707 . . . . 0.0 109.303 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -134.58 142.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 124.037 0.935 . . . . 0.0 110.162 -168.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.08 138.53 13.59 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.101 0.858 . . . . 0.0 111.189 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.4 mt -126.4 137.47 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.212 1.005 . . . . 0.0 109.259 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -133.53 105.59 6.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.576 0.75 . . . . 0.0 109.674 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.4 158.85 74.12 Favored Pre-proline 0 N--CA 1.454 -0.225 0 C-N-CA 124.19 0.996 . . . . 0.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.28 162.21 31.08 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.928 2.419 . . . . 0.0 112.131 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.81 -13.11 29.42 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.126 0.97 . . . . 0.0 112.464 169.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.98 -19.55 66.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.497 1.519 . . . . 0.0 112.309 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -130.67 160.56 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.15 0.98 . . . . 0.0 110.929 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.44 162.89 13.47 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.127 0.571 . . . . 0.0 111.244 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.05 125.91 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.529 0.732 . . . . 0.0 110.26 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -153.65 177.08 11.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.211 1.004 . . . . 0.0 110.244 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -80.85 163.97 23.02 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.731 -0.605 . . . . 0.0 110.178 169.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.49 -29.01 68.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.089 0.556 . . . . 0.0 112.46 -169.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.32 -53.58 56.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.451 0.701 . . . . 0.0 110.966 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -78.29 -31.62 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.361 0.664 . . . . 0.0 109.986 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -51.0 -37.44 45.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.258 1.023 . . . . 0.0 112.772 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.82 -21.87 61.46 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.992 0.917 . . . . 0.0 112.645 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.64 -47.17 49.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 118.633 0.652 . . . . 0.0 109.501 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.24 -23.85 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.927 0.891 . . . . 0.0 110.564 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -85.28 -55.88 3.81 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 169.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.04 -5.61 15.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -166.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.96 59.7 0.32 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 108.559 -1.816 . . . . 0.0 108.559 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . 0.543 ' H ' HD21 ' F' ' 55' ' ' LEU . 0.4 OUTLIER -49.66 141.72 9.39 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.047 1.739 . . . . 0.0 113.67 -165.028 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -87.16 146.22 26.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.416 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.26 76.04 0.56 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 125.767 1.627 . . . . 0.0 113.303 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.37 176.17 1.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.64 2.893 . . . . 0.0 114.478 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t0 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 124.732 1.213 . . . . 0.0 112.63 178.631 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 O4'-C1'-N19 111.039 2.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C4'-C3'-C2' 99.146 -3.554 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 112.417 4.217 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O4'-C1'-N19 111.798 3.598 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 O4'-C1'-N19 111.417 3.217 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 C5'-C4'-O4' 114.814 4.01 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.489 ' O2 ' " H2'" ' G' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 110.13 -3.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 C3'-C2'-C1' 104.368 3.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 0 O5'-C5'-C4' 113.135 2.096 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C5'-C4'-C3' 110.101 -3.599 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 O5'-C5'-C4' 113.975 2.697 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.452 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-C3' 111.333 -2.778 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 C5'-C4'-C3' 108.124 -4.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C4'-C3'-C2' 100.274 -2.426 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.684 3.484 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 110.749 2.549 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.405 -4.064 . 0.595 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 1 O4'-C1'-N19 114.621 6.421 . 0.623 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . 0.492 HO2' ' P ' ' G' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.362 1 C1'-O4'-C4' 105.476 -4.583 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . 0.492 ' P ' HO2' ' G' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.236 1 O4'-C1'-N19 113.386 5.186 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 2 O4'-C1'-N19 112.569 4.369 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C5'-C4'-C3' 111.609 -2.594 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.54 4.34 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.195 3.995 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 N19-C1'-C2' 108.822 -2.861 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.003 2.803 . 0.594 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C5'-C4'-C3' 111.757 -2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.438 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C5'-C4'-C3' 111.929 -2.381 . 0.061 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.389 -2.74 OUTLIER-DELTA 0.014 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.04 -2.66 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.207 3.007 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.415 4.215 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.28 -3.42 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.492 -3.208 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.834 3.634 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 113.289 5.089 . 0.447 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.942 -2.372 . 0.241 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 C3'-C2'-C1' 103.302 2.002 . 0.286 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 O4'-C1'-N19 112.579 4.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 1 C5'-C4'-C3' 109.211 -4.193 . 0.039 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 1 O4'-C1'-N19 112.567 4.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 110.996 -3.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 111.942 3.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.602 4.402 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.608 -3.092 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-O4' 113.16 2.828 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.423 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.401 0 C3'-C2'-C1' 104.805 3.672 . 0.087 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.423 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C5'-C4'-C3' 111.608 -2.595 . 0.284 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.43 0 C5'-C4'-C3' 111.53 -2.647 . 0.457 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 O5'-C5'-C4' 117.294 5.067 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 111.814 -2.457 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.282 4.082 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.065 -2.635 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.588 3.388 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 110.854 -3.098 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 115.944 7.744 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.869 3.669 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.177 2.977 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.425 3.225 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.644 3.444 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.424 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C5'-C4'-C3' 111.468 -2.688 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.424 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 98.881 -3.819 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C3'-C2'-C1' 104.499 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C5'-C4'-C3' 109.531 -3.979 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 C5'-C4'-C3' 105.885 -6.41 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 P-O3'-C3' 125.455 4.796 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 N19-C1'-C2' 109.21 -2.619 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.213 4.013 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.355 3.155 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 1 O4'-C1'-N19 113.511 5.311 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.56 109.43 21.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.172 0.589 . . . . 0.0 109.816 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -91.0 140.58 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.251 0.621 . . . . 0.0 110.124 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -133.3 147.78 51.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.864 0.866 . . . . 0.0 108.732 167.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -120.18 100.81 7.41 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -125.95 153.66 43.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.297 0.57 . . . . 0.0 110.611 -169.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -105.03 159.82 15.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.415 1.086 . . . . 0.0 110.512 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.2 120.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 110.637 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.39 -4.22 56.81 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.528 1.061 . . . . 0.0 114.582 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -94.4 162.96 13.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 119.035 1.417 . . . . 0.0 112.146 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -132.13 147.77 52.45 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -168.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.7 mm -111.39 157.55 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 125.784 1.634 . . . . 0.0 110.055 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -134.37 140.14 46.11 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.951 0.901 . . . . 0.0 111.108 174.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 mt -140.08 125.29 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.555 1.142 . . . . 0.0 110.749 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.3 -121.64 23.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.869 1.107 . . . . 0.0 115.869 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.03 -3.74 46.68 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -165.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 152.48 5.65 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 128.148 2.579 . . . . 0.0 112.129 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.97 126.42 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 120.889 -1.132 . . . . 0.0 109.01 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -118.93 133.08 56.06 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -112.93 143.92 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -136.14 133.13 36.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.187 0.595 . . . . 0.0 110.003 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.2 100.04 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.418 -1.326 . . . . 0.0 107.418 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -30.74 61.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.81 -0.556 . . . . 0.0 111.293 -169.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.73 -170.38 43.48 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.992 0.36 . . . . 0.0 113.593 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.39 146.94 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.927 0.891 . . . . 0.0 111.051 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 m -141.72 60.94 1.47 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.636 1.174 . . . . 0.0 110.412 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.6 -126.21 7.78 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -76.97 -14.71 59.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.272 0.629 . . . . 0.0 111.672 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -99.76 151.7 20.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.4 t -133.07 139.18 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 127.977 2.511 . . . . 0.0 108.15 -169.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -111.57 103.13 11.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.974 0.91 . . . . 0.0 110.41 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.93 137.97 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.427 1.091 . . . . 0.0 110.396 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.24 142.97 16.07 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.436 1.017 . . . . 0.0 112.014 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.04 136.35 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.669 1.588 . . . . 0.0 108.418 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.9 75.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.357 1.063 . . . . 0.0 109.271 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.14 152.38 39.72 Favored Pre-proline 0 N--CA 1.452 -0.328 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.58 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.99 152.27 68.07 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.404 2.069 . . . . 0.0 110.131 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.5 -4.84 16.45 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.62 -25.63 65.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.96 0.904 . . . . 0.0 112.091 169.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.49 144.1 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.015 0.912 . . . . 0.0 112.076 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.85 143.08 36.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.77 1.228 . . . . 0.0 111.61 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.07 117.38 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 123.451 0.701 . . . . 0.0 109.517 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -150.31 158.49 44.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -80.87 152.85 27.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.782 0.833 . . . . 0.0 112.115 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.65 -33.34 75.4 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.493 0.717 . . . . 0.0 112.175 -174.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.35 -14.69 57.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.999 0.919 . . . . 0.0 112.977 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -22.75 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 125.222 1.409 . . . . 0.0 111.121 -173.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -63.07 -29.89 71.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.35 -0.844 . . . . 0.0 110.475 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -72.76 -14.84 61.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.815 0.846 . . . . 0.0 111.753 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -79.34 -31.69 43.12 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.378 1.071 . . . . 0.0 110.883 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.7 mt -68.03 -51.17 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.88 0.872 . . . . 0.0 109.216 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -84.07 5.21 26.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.249 0.619 . . . . 0.0 111.9 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.6 70.32 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.22 0.608 . . . . 0.0 111.343 168.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.51 18.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.621 0.629 . . . . 0.0 113.788 171.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.7 mt -100.47 90.99 4.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.255 1.027 . . . . 0.0 108.708 -173.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t 115.19 127.85 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 129.836 3.254 . . . . 0.0 111.17 -169.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.12 157.76 44.34 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.643 1.177 . . . . 0.0 111.074 170.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -75.17 163.26 35.29 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.055 2.503 . . . . 0.0 112.229 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t0 . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 124.771 1.228 . . . . 0.0 111.638 178.301 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.71 119.46 39.19 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.209 1.404 . . . . 0.0 107.449 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -116.51 138.55 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -166.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.12 135.89 47.89 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.632 1.173 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -106.26 110.25 22.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -124.96 166.45 16.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.545 1.138 . . . . 0.0 110.691 -169.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -109.64 155.79 21.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.798 0.439 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.1 m -54.44 126.78 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.292 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.94 -13.45 45.38 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.03 -0.872 . . . . 0.0 115.145 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.88 154.35 38.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 119.395 1.597 . . . . 0.0 112.667 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -125.79 144.6 50.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.357 1.063 . . . . 0.0 111.499 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.5 mm -132.85 151.35 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 126.429 1.891 . . . . 0.0 108.86 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -126.16 140.92 52.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.323 1.049 . . . . 0.0 110.663 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -131.71 132.32 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 123.982 0.913 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 -134.19 51.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -123.29 2.27 9.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.603 0.761 . . . . 0.0 112.064 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.75 -16.38 6.69 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.787 0.835 . . . . 0.0 113.202 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.35 136.24 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.74 0.7 . . . . 0.0 110.531 -172.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -130.54 149.34 52.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.481 1.112 . . . . 0.0 109.86 169.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -129.55 145.65 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.363 1.865 . . . . 0.0 107.81 -175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -140.58 130.12 24.08 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.765 0.426 . . . . 0.0 110.328 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.11 114.8 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 168.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.35 -30.14 21.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.042 -0.411 . . . . 0.0 111.133 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 157.2 175.96 28.72 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-O 120.861 0.145 . . . . 0.0 112.874 170.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.11 153.55 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.344 0.592 . . . . 0.0 111.057 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -137.24 74.06 1.47 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.938 1.295 . . . . 0.0 108.506 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 -117.37 4.47 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.89 16.41 24.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.347 0.594 . . . . 0.0 111.243 169.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -98.92 157.51 16.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.74 1.216 . . . . 0.0 109.345 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -142.44 114.79 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.794 0.437 . . . . 0.0 110.108 -169.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -84.52 124.7 31.68 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.327 0.512 . . . . 0.0 110.738 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.75 130.42 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.282 1.433 . . . . 0.0 109.161 -173.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.39 15.51 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 123.611 0.624 . . . . 0.0 111.608 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.06 132.64 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 124.001 0.92 . . . . 0.0 109.05 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -133.06 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.473 -1.239 . . . . 0.0 109.297 -168.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.46 157.64 53.35 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.564 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.14 157.35 35.17 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.915 1.743 . . . . 0.0 111.311 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -68.41 -0.68 5.2 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.018 0.927 . . . . 0.0 112.199 169.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.91 -25.78 67.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.223 1.409 . . . . 0.0 111.359 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.71 144.13 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.443 1.097 . . . . 0.0 110.263 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.414 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -86.82 141.8 28.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.665 0.745 . . . . 0.0 111.373 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -141.88 98.85 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.755 -166.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.414 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -145.92 157.21 43.9 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.075 0.465 . . . . 0.0 111.695 177.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 22.7 ptt-85 -65.54 157.79 28.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.107 0.563 . . . . 0.0 111.732 171.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -55.62 -41.54 73.64 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 123.207 0.603 . . . . 0.0 112.148 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.67 -3.91 10.51 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.27 -51.27 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.586 1.154 . . . . 0.0 109.846 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -50.6 -36.74 36.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.325 1.45 . . . . 0.0 112.314 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.93 -22.95 64.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -174.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -80.23 -40.39 27.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 118.737 0.699 . . . . 0.0 110.501 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.82 -39.61 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -80.28 4.94 16.08 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.85 -17.97 45.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.237 0.615 . . . . 0.0 112.093 169.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.14 48.48 0.09 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-O 119.599 -0.556 . . . . 0.0 114.123 169.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.63 -177.36 3.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.68 0.74 . . . . 0.0 112.699 -168.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -124.76 174.93 7.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.321 1.448 . . . . 0.0 108.635 168.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.95 119.41 0.68 Allowed Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 125.227 1.411 . . . . 0.0 111.849 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -67.17 178.88 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.53 2.153 . . . . 0.0 113.949 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 112.73 176.535 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpp . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.86 107.51 15.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 167.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.93 135.61 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.888 0.875 . . . . 0.0 109.846 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -128.23 134.98 49.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.021 0.928 . . . . 0.0 109.231 168.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.1 p -95.3 124.82 39.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.27 0.628 . . . . 0.0 109.836 169.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.81 145.02 49.36 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.811 0.278 . . . . 0.0 110.964 172.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.436 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.2 tptm -80.01 157.4 26.79 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.97 139.73 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 O-C-N 121.168 -0.958 . . . . 0.0 112.042 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.67 -2.6 84.67 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.71 1.148 . . . . 0.0 114.037 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -89.67 167.68 12.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.823 1.312 . . . . 0.0 112.689 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -128.15 158.06 39.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.867 0.867 . . . . 0.0 113.169 -170.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt -142.81 161.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 126.893 2.077 . . . . 0.0 108.025 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -134.44 146.56 49.92 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.177 0.991 . . . . 0.0 111.82 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.06 143.73 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.63 1.172 . . . . 0.0 108.934 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.01 -140.41 44.75 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 123.709 0.671 . . . . 0.0 111.66 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.37 8.76 12.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.167 0.987 . . . . 0.0 111.156 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -133.19 -12.55 2.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.27 138.53 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.849 0.749 . . . . 0.0 110.879 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -125.24 142.39 51.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.671 1.189 . . . . 0.0 109.282 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -122.09 145.26 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.655 1.182 . . . . 0.0 108.178 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -137.82 129.65 28.54 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 122.691 0.397 . . . . 0.0 110.121 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.11 115.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 168.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -89.53 -35.87 15.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.922 -0.486 . . . . 0.0 109.94 -174.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.65 178.46 40.26 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 113.933 0.333 . . . . 0.0 113.933 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.05 154.4 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.77 0.828 . . . . 0.0 110.268 172.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -151.93 108.35 3.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 169.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -132.31 23.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.04 1.07 57.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.059 0.944 . . . . 0.0 111.946 170.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 151.01 23.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.288 1.035 . . . . 0.0 110.66 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 t -134.01 125.59 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.763 0.825 . . . . 0.0 108.98 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -84.39 114.0 21.58 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -120.31 127.09 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 109.395 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.0 135.72 12.29 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.939 0.78 . . . . 0.0 111.873 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -121.79 127.86 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.385 1.074 . . . . 0.0 108.568 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -129.07 89.95 2.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.846 -0.534 . . . . 0.0 110.288 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.16 156.98 73.71 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.611 1.164 . . . . 0.0 110.22 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -62.74 151.88 81.43 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.558 2.172 . . . . 0.0 111.087 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -65.39 -1.07 2.18 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.579 0.751 . . . . 0.0 112.675 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.78 -22.31 66.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 111.337 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -123.71 147.9 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.23 1.012 . . . . 0.0 110.508 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.02 22.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 122.786 0.435 . . . . 0.0 111.29 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.96 130.31 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.126 0.57 . . . . 0.0 109.489 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -154.41 164.03 39.26 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.454 0.702 . . . . 0.0 111.263 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -80.88 160.28 24.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -60.56 -32.57 71.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.033 0.533 . . . . 0.0 112.252 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.69 -44.02 76.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.85 0.86 . . . . 0.0 111.743 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -90.75 -30.11 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.534 0.733 . . . . 0.0 110.72 -172.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -51.63 -35.96 44.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.755 0.822 . . . . 0.0 112.336 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -60.17 -30.52 69.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.427 0.691 . . . . 0.0 112.353 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.52 -36.63 76.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.536 0.734 . . . . 0.0 111.689 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.21 -18.99 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.121 -0.362 . . . . 0.0 110.156 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -97.41 2.02 49.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.018 0.927 . . . . 0.0 113.112 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.07 -5.03 58.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.46 115.63 1.99 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.08 -176.48 5.69 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.007 . . . . 0.0 111.632 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -72.44 -0.91 13.83 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.469 1.108 . . . . 0.0 113.918 -172.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.85 86.0 58.33 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 124.071 0.948 . . . . 0.0 110.731 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -69.31 -179.78 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.276 2.651 . . . . 0.0 113.592 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.276 1.03 . . . . 0.0 112.195 172.635 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.402 ' CE ' ' C6 ' ' G' ' 67' ' ' ' C' . 6.6 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.41 107.13 9.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.234 2.614 . . . . 0.0 106.191 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.59 135.0 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.524 1.13 . . . . 0.0 109.471 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.36 166.97 12.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.713 1.205 . . . . 0.0 111.129 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.41 109.91 15.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 107.957 168.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -122.14 129.5 52.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 109.975 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -73.94 153.36 39.81 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 111.062 171.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.38 139.07 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.365 0.602 . . . . 0.0 112.578 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.32 -6.34 83.45 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.643 1.116 . . . . 0.0 113.833 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.38 178.41 5.97 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.943 1.371 . . . . 0.0 112.579 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -131.13 156.33 45.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.737 0.815 . . . . 0.0 113.114 -169.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 57.0 mt -143.38 161.43 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.835 2.454 . . . . 0.0 108.782 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -140.28 152.23 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.377 -0.827 . . . . 0.0 112.482 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.16 139.26 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.782 1.233 . . . . 0.0 109.184 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.3 -135.7 51.38 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.78 10.05 5.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.059 0.943 . . . . 0.0 112.417 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -124.32 -14.53 6.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.934 0.894 . . . . 0.0 113.255 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.04 136.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.834 0.743 . . . . 0.0 110.881 -169.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -120.56 149.04 43.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.417 1.087 . . . . 0.0 109.706 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.5 142.92 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.312 1.445 . . . . 0.0 107.737 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -141.01 129.32 22.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.706 -0.622 . . . . 0.0 109.881 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -88.29 86.16 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.22 -32.21 73.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.821 -0.55 . . . . 0.0 111.753 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.93 -168.06 40.5 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.572 -0.823 . . . . 0.0 114.524 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.85 134.56 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.063 1.345 . . . . 0.0 110.246 -169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 63.4 m -145.94 99.25 3.23 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.043 0.937 . . . . 0.0 109.818 -170.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -119.71 13.72 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.436 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mt-30 -97.16 -6.15 35.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.796 0.838 . . . . 0.0 111.038 173.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.2 159.98 25.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 112.573 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.98 124.37 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.588 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.37 113.98 18.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.85 115.97 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.662 0.785 . . . . 0.0 109.167 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.07 133.4 11.73 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 40.4 mt -122.71 138.64 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.953 0.901 . . . . 0.0 108.646 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -138.04 89.9 2.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.29 157.26 51.67 Favored Pre-proline 0 N--CA 1.451 -0.414 0 C-N-CA 124.681 1.193 . . . . 0.0 109.503 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.0 149.72 87.64 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 121.947 1.765 . . . . 0.0 110.41 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.65 -1.0 5.91 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.99 -23.94 66.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.926 1.291 . . . . 0.0 111.599 168.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.05 160.06 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.078 0.951 . . . . 0.0 110.879 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.96 157.09 16.06 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.464 0.706 . . . . 0.0 112.384 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.61 127.01 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 O-C-N 121.901 -0.5 . . . . 0.0 109.968 168.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -151.21 165.55 33.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.395 0.678 . . . . 0.0 111.991 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.56 158.19 18.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.267 0.627 . . . . 0.0 109.803 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.77 -36.73 79.7 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 121.722 -0.611 . . . . 0.0 111.305 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.25 -17.01 64.62 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -102.12 -40.59 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.021 0.928 . . . . 0.0 110.968 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -46.6 -39.83 11.81 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.344 1.458 . . . . 0.0 112.088 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.79 -26.09 67.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.828 1.251 . . . . 0.0 113.515 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.41 26.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mp -60.69 -33.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.095 0.558 . . . . 0.0 110.303 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -83.29 0.39 45.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.013 0.525 . . . . 0.0 111.845 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.5 -4.31 59.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.461 1.105 . . . . 0.0 112.32 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.04 47.66 0.65 Allowed Glycine 0 CA--C 1.525 0.716 0 CA-C-N 118.418 0.554 . . . . 0.0 113.736 169.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -162.78 178.84 8.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.824 0.812 . . . . 0.0 112.003 -169.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -154.2 100.45 2.31 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.747 1.219 . . . . 0.0 108.402 166.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.05 79.46 0.32 Allowed Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 126.074 1.75 . . . . 0.0 113.642 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.78 146.0 87.75 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.994 3.129 . . . . 0.0 113.429 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.454 -0.231 0 C-N-CA 126.055 1.742 . . . . 0.0 114.219 173.541 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.83 134.6 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.977 0.911 . . . . 0.0 110.033 -173.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.02 127.05 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 158.01 26.51 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.797 1.639 . . . . 0.0 110.129 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.408 HG23 ' HG3' ' F' ' 29' ' ' GLN . 1.5 m -127.12 132.72 50.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 168.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -142.06 134.82 28.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.324 0.65 . . . . 0.0 111.367 -168.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.63 161.31 14.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 122.755 0.422 . . . . 0.0 111.311 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 m -57.77 139.71 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.984 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.11 -3.57 86.95 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.163 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.5 172.98 8.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.695 1.247 . . . . 0.0 111.493 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -137.06 156.8 47.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.47 155.34 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 126.631 1.972 . . . . 0.0 108.563 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -133.72 151.04 51.52 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -136.88 137.56 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.732 1.213 . . . . 0.0 109.047 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -136.76 49.8 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -124.68 9.96 8.36 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.176 0.991 . . . . 0.0 111.624 174.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.65 -7.38 1.47 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.69 135.36 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.988 0.813 . . . . 0.0 110.811 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -127.87 142.72 51.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.535 1.134 . . . . 0.0 110.062 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.21 137.32 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.501 . . . . 0.0 108.317 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -131.98 128.24 37.99 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.228 0.611 . . . . 0.0 109.79 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.51 103.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.74 -32.18 67.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.985 -0.447 . . . . 0.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.4 -176.03 40.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 113.852 0.301 . . . . 0.0 113.852 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.43 134.21 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.55 1.14 . . . . 0.0 111.658 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -149.99 110.04 4.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.835 1.254 . . . . 0.0 110.287 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.57 -124.2 23.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -89.81 -14.72 33.87 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.341 0.571 . . . . 0.0 111.773 170.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.08 148.91 27.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.215 1.007 . . . . 0.0 111.927 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.24 111.73 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -87.01 123.63 32.32 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -128.08 130.65 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.879 0.871 . . . . 0.0 110.427 -168.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.72 143.06 16.41 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.391 0.996 . . . . 0.0 111.464 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -134.44 126.55 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.746 1.219 . . . . 0.0 108.978 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -126.27 100.9 6.5 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.01 0.524 . . . . 0.0 109.589 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 154.89 73.52 Favored Pre-proline 0 N--CA 1.452 -0.349 0 C-N-CA 124.389 1.076 . . . . 0.0 110.541 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.72 158.89 39.77 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.866 2.377 . . . . 0.0 112.15 172.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -72.64 -0.97 14.46 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 171.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.11 -21.35 66.35 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.274 1.03 . . . . 0.0 111.377 168.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.84 158.6 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.358 1.063 . . . . 0.0 110.526 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.19 158.86 15.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.04 129.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.092 0.557 . . . . 0.0 110.511 171.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -151.82 170.44 19.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.933 0.893 . . . . 0.0 111.31 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -80.47 161.1 25.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 168.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.16 -18.49 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -169.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.55 -53.98 49.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.263 0.625 . . . . 0.0 110.42 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.34 -38.8 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.121 0.568 . . . . 0.0 109.579 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.32 -35.32 50.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.143 0.977 . . . . 0.0 112.652 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.16 -21.96 65.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.422 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -71.81 -47.45 53.22 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.601 0.637 . . . . 0.0 109.751 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.19 -23.6 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.227 1.411 . . . . 0.0 110.515 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -85.26 -43.23 13.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 169.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.64 -31.15 10.51 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -166.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.24 -21.62 1.17 Allowed Glycine 0 CA--C 1.525 0.675 0 CA-C-N 118.868 0.758 . . . . 0.0 113.237 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.86 178.42 0.14 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 127.837 2.455 . . . . 0.0 113.061 169.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -92.9 -7.05 47.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.95 132.09 18.17 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.256 1.022 . . . . 0.0 110.042 172.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.73 -179.02 1.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.918 2.412 . . . . 0.0 113.334 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.455 -0.185 0 C-N-CA 124.635 1.174 . . . . 0.0 112.796 178.488 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.72 149.4 21.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.012 -0.43 . . . . 0.0 111.481 175.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.458 HG22 ' H62' ' G' ' 18' ' ' ' A' . 5.0 mp -131.48 133.92 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -130.94 162.94 28.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.695 1.198 . . . . 0.0 109.876 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -128.81 102.47 6.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 167.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -104.91 156.07 18.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.859 0.864 . . . . 0.0 109.652 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -114.12 167.56 10.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.72 132.63 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.912 -168.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.04 -11.44 65.83 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.384 0.992 . . . . 0.0 114.326 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -89.59 165.14 14.44 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.891 1.346 . . . . 0.0 112.407 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -134.29 151.56 51.33 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.72 154.73 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 127.428 2.291 . . . . 0.0 108.385 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -134.03 146.05 50.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.485 -0.759 . . . . 0.0 111.235 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -135.53 142.54 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.386 1.074 . . . . 0.0 109.256 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.82 -132.3 51.04 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.83 10.09 5.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.155 0.982 . . . . 0.0 112.473 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -136.21 -16.17 1.66 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.18 136.95 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.345 0.975 . . . . 0.0 110.823 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -133.0 142.5 48.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.197 0.999 . . . . 0.0 110.631 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -123.3 142.68 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 125.96 1.704 . . . . 0.0 108.165 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -138.17 130.16 28.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.945 0.498 . . . . 0.0 110.152 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.05 114.89 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -85.65 -28.96 24.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.567 0.747 . . . . 0.0 110.95 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.47 -177.63 33.36 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.832 0.254 . . . . 0.0 113.66 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -120.89 158.44 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 123.561 0.744 . . . . 0.0 112.414 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -149.13 89.95 1.7 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.092 1.357 . . . . 0.0 108.092 168.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.36 -124.4 34.62 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -169.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.15 -17.84 61.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.556 0.742 . . . . 0.0 112.912 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . 0.408 ' HG3' HG23 ' E' ' 5' ' ' THR . 17.7 tt0 -85.54 143.49 28.47 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.59 118.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 125.485 1.514 . . . . 0.0 107.293 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -93.13 127.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.211 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.11 138.62 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.927 0.891 . . . . 0.0 110.761 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 142.26 15.52 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.184 0.897 . . . . 0.0 111.327 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -130.55 133.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.616 1.166 . . . . 0.0 109.494 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -132.95 108.36 8.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.655 0.782 . . . . 0.0 109.437 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.84 157.94 76.62 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.745 0.818 . . . . 0.0 111.418 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.21 162.14 37.26 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.092 2.528 . . . . 0.0 112.226 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -67.96 -11.85 59.61 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.706 0.802 . . . . 0.0 112.667 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -20.5 66.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.07 1.348 . . . . 0.0 112.686 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.98 165.69 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.741 0.817 . . . . 0.0 111.336 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.43 160.9 14.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.29 0.636 . . . . 0.0 111.729 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 p -154.98 114.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.737 0.815 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -152.28 174.21 14.07 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.851 0.86 . . . . 0.0 110.416 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.53 163.6 24.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.733 -0.604 . . . . 0.0 110.342 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -62.32 -25.96 68.17 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.05 0.54 . . . . 0.0 112.358 -172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.86 -44.26 90.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 111.676 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -86.62 -28.92 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.553 0.741 . . . . 0.0 109.739 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -52.76 -34.22 52.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.919 0.888 . . . . 0.0 112.843 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.73 -23.04 66.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.517 0.727 . . . . 0.0 112.366 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -84.46 -22.97 30.11 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.441 0.697 . . . . 0.0 110.937 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mm -68.26 -55.2 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.65 0.78 . . . . 0.0 109.535 172.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.73 3.1 10.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.014 0.925 . . . . 0.0 112.256 -172.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.71 -9.05 56.33 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.441 1.097 . . . . 0.0 113.184 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.09 26.23 0.13 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 115.334 0.893 . . . . 0.0 115.334 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.76 -170.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.462 1.131 . . . . 0.0 111.305 -169.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 13.4 m -124.5 -26.82 3.82 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.343 0.657 . . . . 0.0 112.497 172.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.67 124.36 19.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.513 0.725 . . . . 0.0 110.319 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.95 173.55 3.77 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.146 2.564 . . . . 0.0 113.2 173.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 N--CA 1.453 -0.297 0 C-N-CA 124.244 1.017 . . . . 0.0 111.335 173.242 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 O4'-C1'-N19 111.821 3.621 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.428 3.228 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.467 4.267 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.847 3.647 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . 0.472 HO2' " H5'" ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.111 2.911 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . 0.472 " H5'" HO2' ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-O4' 114.544 3.817 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C5'-C4'-C3' 110.078 -3.615 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.268 3.075 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 O5'-C5'-C4' 113.336 2.24 . 0.024 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C5'-C4'-C3' 109.924 -3.717 . 0.206 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 110.992 2.792 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.486 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 111.88 -2.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 1 C5'-C4'-C3' 107.826 -5.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C4'-C3'-C2' 100.201 -2.499 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.703 3.503 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 O4'-C1'-N19 111.165 2.965 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 110.388 -3.408 . 0.462 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . 0.458 ' H62' HG22 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C4'-C3'-C2' 99.754 -2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 2 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 112.122 3.922 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 2 O4'-C1'-N19 112.638 4.438 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 111.351 -2.766 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.604 4.404 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 112.072 3.872 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 N19-C1'-C2' 108.6 -3.0 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 O4'-C1'-N19 111.222 3.022 . 0.636 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 C5'-C4'-C3' 111.962 -2.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 0 C5'-C4'-C3' 112.042 -2.306 . 0.052 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C5'-C4'-C3' 111.271 -2.819 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 O4'-C1'-N19 111.048 2.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 99.72 -2.98 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.583 3.383 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 O4'-C1'-N19 112.319 4.119 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.206 -3.494 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 99.535 -3.165 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.991 3.791 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 C5'-C4'-C3' 109.614 -3.924 . 0.787 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.435 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-C3' 110.603 -3.265 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.435 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 C3'-C2'-C1' 104.036 2.818 . 0.24 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.404 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 1 O4'-C1'-N19 113.248 5.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 1 C5'-C4'-C3' 109.068 -4.288 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.66 4.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 O4'-C1'-N19 112.857 4.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.856 4.656 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.234 4.034 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 111.181 2.981 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 112.081 3.881 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.491 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 1 C3'-C2'-C1' 105.102 4.002 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.491 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C4'-C3'-C2' 99.861 -2.839 . 0.044 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.423 3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 111.121 -2.92 . 0.408 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 O5'-C5'-C4' 117.057 4.898 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C5'-C4'-C3' 112.254 -2.164 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.227 4.027 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.173 -2.527 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.298 3.098 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C4'-C3' 108.056 1.826 . 0.133 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 O4'-C1'-N19 113.322 5.122 . 0.09 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.41 3.21 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.392 3.192 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 0 C3'-C2'-C1' 104.531 3.368 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.451 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 110.223 -3.518 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.451 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 99.988 -2.712 . 0.229 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C3'-C2'-C1' 103.78 2.534 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 0 C5'-C4'-C3' 111.91 -2.394 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.402 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.353 2 C5'-C4'-C3' 105.987 -6.342 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 1 P-O3'-C3' 125.579 4.899 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 0 N19-C1'-C2' 108.928 -2.795 . 0.925 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 112.075 3.875 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.361 3.161 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.664 3.464 . 0.178 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.45 110.69 23.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.601 0.76 . . . . 0.0 109.602 -176.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.35 135.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.125 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.85 158.07 43.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.406 1.082 . . . . 0.0 109.772 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.4 m -119.88 100.96 7.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.63 140.88 41.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.134 0.973 . . . . 0.0 110.456 -169.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -105.87 155.48 19.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.941 0.337 . . . . 0.0 110.204 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.35 121.95 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.762 0.825 . . . . 0.0 110.584 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.48 -0.55 59.84 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.256 0.932 . . . . 0.0 114.272 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -101.16 166.52 10.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.71 1.255 . . . . 0.0 111.631 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 150.11 51.11 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 33.1 mm -112.31 155.04 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.722 1.609 . . . . 0.0 109.842 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -123.65 140.51 52.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.854 1.262 . . . . 0.0 110.201 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.97 134.45 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.162 0.985 . . . . 0.0 109.583 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.9 -129.14 29.59 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.04 2.23 4.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.592 0.757 . . . . 0.0 112.363 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -134.48 -14.14 2.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.04 137.9 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.785 0.834 . . . . 0.0 110.111 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.24 148.23 47.95 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.605 0.762 . . . . 0.0 109.303 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.13 141.85 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.906 1.283 . . . . 0.0 108.053 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 m -138.0 136.03 36.52 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.434 0.561 . . . . 0.0 109.91 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.31 101.14 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.93 58.05 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.664 -0.648 . . . . 0.0 111.39 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -167.95 40.68 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 118.108 0.413 . . . . 0.0 113.331 169.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.47 145.57 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.269 0.628 . . . . 0.0 111.607 -172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -137.36 67.21 1.44 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 110.154 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -127.46 9.12 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -80.32 -12.31 59.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 17.9 pt20 -98.77 133.05 43.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 122.518 1.152 . . . . 0.0 111.668 174.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.92 127.16 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 126.256 1.822 . . . . 0.0 108.287 -169.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -89.17 101.9 14.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.36 135.75 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.474 1.11 . . . . 0.0 109.395 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.37 141.63 17.1 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.147 0.879 . . . . 0.0 111.934 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.59 140.89 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.442 1.497 . . . . 0.0 108.503 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -129.11 74.99 1.62 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.786 1.234 . . . . 0.0 109.328 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.36 153.95 45.48 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 125.158 1.383 . . . . 0.0 110.775 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.6 155.64 49.73 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.556 2.171 . . . . 0.0 110.7 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -67.33 -5.77 15.77 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.25 -24.68 65.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.036 0.935 . . . . 0.0 112.084 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -120.38 144.1 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.886 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 143.04 38.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.426 1.091 . . . . 0.0 111.533 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 t -127.37 120.19 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -147.82 -176.02 5.1 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.892 0.877 . . . . 0.0 110.514 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.86 167.61 16.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 112.175 171.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.837 0.855 . . . . 0.0 112.334 -173.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -58.53 -25.18 62.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.871 1.268 . . . . 0.0 113.091 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.07 -24.29 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.151 1.38 . . . . 0.0 111.126 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -63.97 -31.54 72.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -174.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -73.16 -14.03 61.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.122 0.969 . . . . 0.0 111.705 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.45 -32.35 29.0 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.75 1.22 . . . . 0.0 111.003 170.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.53 -52.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.589 0.756 . . . . 0.0 109.056 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -84.03 5.15 26.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.987 0.915 . . . . 0.0 112.001 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.02 63.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.176 0.59 . . . . 0.0 111.453 168.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.18 6.13 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 CA-C-O 119.198 -0.779 . . . . 0.0 113.187 171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.87 90.58 6.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.758 1.279 . . . . 0.0 107.823 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p 163.77 -29.89 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 126.785 2.034 . . . . 0.0 109.533 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 154.09 58.04 Favored Pre-proline 0 N--CA 1.455 -0.203 0 C-N-CA 124.891 1.277 . . . . 0.0 112.844 -169.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.78 158.68 56.17 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 123.068 2.512 . . . . 0.0 112.267 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 111.54 174.257 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.16 122.0 42.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 107.499 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 mt -118.68 141.25 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.076 0.55 . . . . 0.0 112.073 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.06 135.3 29.04 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.658 1.183 . . . . 0.0 111.176 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -83.33 126.41 32.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 166.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -126.59 116.79 21.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.929 0.492 . . . . 0.0 110.028 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 58.8 tttt -82.7 149.08 27.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -57.28 128.57 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.607 -169.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.68 -6.86 59.11 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.926 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -88.77 167.81 12.99 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.068 1.434 . . . . 0.0 111.862 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -130.13 150.93 51.17 Favored 'General case' 0 C--N 1.338 0.073 0 C-N-CA 123.867 0.867 . . . . 0.0 112.873 -168.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 15.1 mt -132.42 153.69 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 126.502 1.921 . . . . 0.0 109.761 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -136.68 141.2 43.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 121.645 -0.659 . . . . 0.0 111.911 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -134.26 132.42 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 109.816 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.61 -137.4 50.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.8 4.02 9.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.627 0.771 . . . . 0.0 112.084 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.56 -15.42 8.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.792 0.837 . . . . 0.0 112.891 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.75 135.85 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 118.823 0.738 . . . . 0.0 110.654 -172.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -131.84 148.71 52.57 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.697 1.199 . . . . 0.0 109.759 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mm -130.6 144.47 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.708 1.603 . . . . 0.0 108.226 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -137.49 135.47 36.83 Favored 'General case' 0 C--N 1.334 -0.097 0 O-C-N 122.028 -0.42 . . . . 0.0 110.378 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.43 100.21 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.11 -29.52 60.6 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.695 -0.628 . . . . 0.0 111.394 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.3 -174.37 37.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 122.552 0.12 . . . . 0.0 113.129 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.99 154.93 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 CA-C-O 121.311 0.577 . . . . 0.0 111.459 177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -140.22 74.0 1.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.127 1.371 . . . . 0.0 108.637 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.96 -116.71 4.26 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -101.59 8.53 41.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.465 0.706 . . . . 0.0 110.881 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.97 154.36 18.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.912 0.885 . . . . 0.0 110.236 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.75 118.23 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.684 0.794 . . . . 0.0 109.246 -169.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -87.7 121.68 30.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.915 0.886 . . . . 0.0 109.696 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -131.25 134.53 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.492 1.117 . . . . 0.0 109.716 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 140.66 15.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 123.504 0.573 . . . . 0.0 111.743 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.08 132.17 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.867 0.867 . . . . 0.0 109.488 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -133.03 75.05 1.6 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.526 -168.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.65 157.49 51.91 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.773 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.78 156.66 41.89 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.05 1.834 . . . . 0.0 111.241 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -67.26 -0.73 3.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.166 0.987 . . . . 0.0 112.357 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.88 -25.74 67.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.707 1.603 . . . . 0.0 111.366 171.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.13 144.15 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.659 1.184 . . . . 0.0 110.286 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -84.72 142.8 29.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 111.403 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -143.45 95.07 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.974 -166.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.401 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -146.62 161.36 40.69 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.28 0.632 . . . . 0.0 111.699 178.36 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.4 ptt-85 -67.53 158.38 32.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -54.75 -36.75 65.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.711 0.804 . . . . 0.0 112.107 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -51.19 58.21 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.13 0.572 . . . . 0.0 111.437 174.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -71.08 -45.49 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.747 1.219 . . . . 0.0 110.491 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -51.87 -37.6 52.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.925 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -68.42 -25.07 64.84 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -81.51 -38.65 25.93 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.943 0.792 . . . . 0.0 110.461 172.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.94 -41.4 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.89 5.11 14.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -15.43 56.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.07 0.548 . . . . 0.0 111.698 169.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.05 46.2 0.13 Allowed Glycine 0 C--N 1.338 0.644 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.146 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.95 -176.62 2.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 113.009 -168.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -126.45 178.0 6.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.623 1.569 . . . . 0.0 109.15 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.03 118.68 0.96 Allowed Pre-proline 0 CA--C 1.53 0.193 0 C-N-CA 124.798 1.239 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.02 175.34 8.45 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.872 1.715 . . . . 0.0 113.771 -169.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.51 173.105 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.25 115.38 30.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.041 1.337 . . . . 0.0 108.338 170.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.41 133.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.583 0.753 . . . . 0.0 109.886 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.14 134.9 51.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.817 0.847 . . . . 0.0 109.52 168.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -90.2 139.24 30.83 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.77 130.2 18.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -75.55 151.3 37.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.503 1.121 . . . . 0.0 109.418 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.45 140.6 17.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 O-C-N 121.545 -0.722 . . . . 0.0 112.264 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.77 -3.92 84.93 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.661 1.124 . . . . 0.0 114.06 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -85.87 172.54 10.66 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.7 1.25 . . . . 0.0 112.706 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -132.63 157.7 44.13 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.174 0.99 . . . . 0.0 112.928 -172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -141.64 154.68 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 C-N-CA 127.021 2.129 . . . . 0.0 108.564 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -125.47 147.64 49.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.354 1.062 . . . . 0.0 111.757 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -136.12 139.97 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.887 1.275 . . . . 0.0 109.094 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -138.8 47.49 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.681 0.658 . . . . 0.0 111.622 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.76 7.46 11.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.142 0.977 . . . . 0.0 111.38 169.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -132.5 -11.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 113.398 -169.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.74 137.31 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 118.77 0.714 . . . . 0.0 110.788 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -126.59 143.73 51.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.494 1.117 . . . . 0.0 109.519 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -124.17 142.5 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.165 1.386 . . . . 0.0 108.202 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -135.4 131.98 36.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 122.117 -0.364 . . . . 0.0 110.452 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -88.06 111.99 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 168.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -88.65 -35.93 16.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.882 -0.511 . . . . 0.0 110.041 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.33 178.58 40.18 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 113.945 0.338 . . . . 0.0 113.945 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.15 149.76 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.541 0.736 . . . . 0.0 110.589 172.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -144.88 104.38 3.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.566 1.146 . . . . 0.0 108.58 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.64 -128.68 27.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -169.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.71 -1.28 55.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.9 0.88 . . . . 0.0 112.208 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.59 153.98 22.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.445 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.59 122.89 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.18 0.992 . . . . 0.0 108.51 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -79.31 114.66 18.42 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 169.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.92 123.22 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.574 1.149 . . . . 0.0 109.602 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 141.81 20.68 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.138 1.351 . . . . 0.0 111.908 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -132.13 132.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -137.99 89.99 2.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.0 157.34 78.36 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.253 1.021 . . . . 0.0 110.127 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.76 154.16 71.11 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.635 2.223 . . . . 0.0 111.341 171.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.38 -0.88 2.93 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.534 0.734 . . . . 0.0 112.626 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.376 1.07 . . . . 0.0 111.445 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.27 151.85 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.172 0.989 . . . . 0.0 110.852 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.01 154.42 22.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.116 0.566 . . . . 0.0 111.571 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.45 128.94 21.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 123.053 0.541 . . . . 0.0 109.876 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -155.63 162.68 40.57 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.238 0.615 . . . . 0.0 111.787 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -77.57 163.72 26.01 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 165.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.81 -27.54 67.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.046 -0.409 . . . . 0.0 111.768 -170.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.02 -44.67 87.45 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.869 0.868 . . . . 0.0 111.456 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.23 -31.76 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 118.871 -0.585 . . . . 0.0 110.91 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -49.4 -41.28 39.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.64 0.654 . . . . 0.0 111.422 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -51.55 -20.75 2.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.576 1.95 . . . . 0.0 113.893 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -87.12 -39.18 15.78 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.22 -42.15 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.28 1.432 . . . . 0.0 112.587 -168.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.56 ' H ' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -105.04 2.12 29.21 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.694 1.998 . . . . 0.0 110.372 -168.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.02 -12.41 47.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.28 1.832 . . . . 0.0 113.303 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.75 127.33 4.99 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -168.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.23 162.4 13.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.482 0.713 . . . . 0.0 111.796 -168.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.0 p -88.77 -8.73 53.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.014 0.925 . . . . 0.0 113.003 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.2 83.56 38.51 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 123.691 0.796 . . . . 0.0 111.052 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -69.15 179.96 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.318 2.678 . . . . 0.0 112.522 171.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.841 0.857 . . . . 0.0 112.54 175.593 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -128.08 109.28 11.38 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.093 1.757 . . . . 0.0 106.571 166.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.51 124.88 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 108.475 -172.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 mt -110.37 169.06 8.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.861 0.864 . . . . 0.0 110.031 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.79 109.82 12.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -117.32 131.52 56.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.851 0.861 . . . . 0.0 110.028 -168.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -75.61 153.27 37.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.523 0.601 . . . . 0.0 110.582 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.69 135.57 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.078 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.33 -2.52 74.65 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.391 0.996 . . . . 0.0 114.144 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -97.44 175.98 6.04 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.995 1.398 . . . . 0.0 112.642 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -132.44 161.89 32.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.82 0.848 . . . . 0.0 113.252 -168.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -146.1 159.24 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 127.278 2.231 . . . . 0.0 108.293 -171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.1 149.75 52.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.256 -0.902 . . . . 0.0 112.01 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -134.25 139.23 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.748 1.219 . . . . 0.0 109.802 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -134.75 52.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 10.02 5.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.698 0.799 . . . . 0.0 112.32 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -126.55 -13.09 6.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.008 0.923 . . . . 0.0 113.298 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.53 133.4 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.91 0.777 . . . . 0.0 110.515 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -117.28 148.85 41.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.962 0.905 . . . . 0.0 109.606 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.92 144.84 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.988 1.315 . . . . 0.0 108.164 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -140.48 140.8 35.39 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.834 -0.541 . . . . 0.0 109.849 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -98.82 91.56 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.93 -33.02 74.68 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.709 -0.619 . . . . 0.0 111.735 -168.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.99 40.88 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-O 121.474 0.486 . . . . 0.0 113.52 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.72 133.59 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.523 1.129 . . . . 0.0 110.077 -169.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -139.79 88.13 2.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.027 1.331 . . . . 0.0 109.232 -169.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -123.05 22.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -171.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -8.47 44.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.679 0.791 . . . . 0.0 110.98 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.17 156.42 20.34 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.893 0.854 . . . . 0.0 111.779 170.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.09 127.58 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 124.19 0.996 . . . . 0.0 108.7 -173.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -83.47 112.66 20.16 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 122.936 0.495 . . . . 0.0 109.85 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -115.23 120.79 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.352 0.661 . . . . 0.0 109.426 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.8 139.27 14.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.71 1.148 . . . . 0.0 110.862 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.4 mt -134.18 134.96 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -137.99 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.05 157.56 48.34 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.775 1.23 . . . . 0.0 109.032 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.85 149.45 90.06 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.591 1.528 . . . . 0.0 110.107 169.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -68.71 -1.02 6.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.79 -0.569 . . . . 0.0 112.512 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.96 -23.21 66.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.121 1.369 . . . . 0.0 111.779 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.31 160.04 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.182 0.993 . . . . 0.0 110.928 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.82 157.06 16.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.32 0.648 . . . . 0.0 112.677 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.46 126.01 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.925 0.49 . . . . 0.0 109.846 167.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -150.11 164.68 34.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.537 0.735 . . . . 0.0 111.538 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -60.93 156.95 16.35 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 168.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.55 -35.84 77.0 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.855 0.752 . . . . 0.0 111.457 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.42 -23.8 66.36 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 24.4 mm -95.1 -35.4 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.562 1.145 . . . . 0.0 111.064 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -51.68 -41.31 61.33 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.139 0.976 . . . . 0.0 111.185 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.66 -22.15 63.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.58 1.152 . . . . 0.0 113.213 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . 0.41 ' HD2' ' C5 ' ' G' ' 7' ' ' ' C' . 64.4 mtt180 -81.03 -45.52 16.43 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.085 0.954 . . . . 0.0 110.837 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.482 ' HA ' HD13 ' D' ' 55' ' ' LEU . 5.1 mp -60.27 -31.51 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 171.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . 0.401 HE22 HG22 ' D' ' 51' ' ' ILE . 0.3 OUTLIER -87.47 2.08 51.63 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.714 0.805 . . . . 0.0 111.521 176.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.04 1.54 27.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.143 1.377 . . . . 0.0 112.25 170.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.12 35.37 2.54 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.596 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' D' ' 51' ' ' ILE . 3.7 pp -161.2 -172.24 3.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.041 0.92 . . . . 0.0 112.716 -168.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -139.22 172.4 12.89 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.392 1.477 . . . . 0.0 107.854 166.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.99 127.86 4.32 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 124.001 0.92 . . . . 0.0 112.282 -173.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -58.09 164.73 7.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.11 2.54 . . . . 0.0 114.304 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 N--CA 1.454 -0.246 0 C-N-CA 124.666 1.187 . . . . 0.0 112.731 -178.802 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . 0.321 12.7 ttt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt -131.4 135.17 46.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.222 1.809 . . . . 0.0 108.284 166.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.46 138.95 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.011 0.925 . . . . 0.0 109.274 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.7 165.04 34.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.114 0.966 . . . . 0.0 112.052 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.86 127.65 49.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.468 0.707 . . . . 0.0 109.926 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.27 125.03 31.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.929 1.291 . . . . 0.0 109.919 -170.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -90.57 166.45 13.2 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 119.762 1.164 . . . . 0.0 112.457 174.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.85 137.02 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.967 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.56 83.87 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.125 0.869 . . . . 0.0 114.206 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -93.06 172.58 8.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.782 1.291 . . . . 0.0 111.595 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.36 158.41 44.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -138.49 156.38 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 126.914 2.085 . . . . 0.0 108.223 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.98 150.7 49.35 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.48 -0.763 . . . . 0.0 113.049 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.57 139.86 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.728 1.211 . . . . 0.0 108.995 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -138.3 49.74 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.12 4.46 9.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.94 0.896 . . . . 0.0 111.715 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.92 -3.65 2.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.748 0.819 . . . . 0.0 113.052 -170.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.87 133.97 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.87 0.759 . . . . 0.0 110.62 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -127.16 144.89 50.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.379 1.072 . . . . 0.0 109.997 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -126.24 140.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.272 1.429 . . . . 0.0 108.013 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -137.69 126.98 24.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.781 0.432 . . . . 0.0 109.913 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.35 105.34 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.38 -29.95 57.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.939 0.496 . . . . 0.0 110.904 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.91 -174.76 35.24 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.383 0.516 . . . . 0.0 113.673 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -120.6 155.45 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.029 0.932 . . . . 0.0 111.655 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -141.75 89.93 2.24 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.795 1.238 . . . . 0.0 109.112 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -104.97 1.45 Allowed Glycine 0 CA--C 1.524 0.647 0 O-C-N 121.827 -0.546 . . . . 0.0 111.891 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -98.42 -20.11 17.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.595 0.697 . . . . 0.0 111.894 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -71.4 148.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.278 0.631 . . . . 0.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 t -139.75 116.93 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -90.63 124.86 35.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.211 0.605 . . . . 0.0 109.682 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.91 130.04 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.083 0.553 . . . . 0.0 110.667 -168.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.47 143.89 16.76 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.263 0.935 . . . . 0.0 111.864 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.7 mt -133.77 126.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.455 1.502 . . . . 0.0 108.474 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -128.83 98.9 5.12 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.08 155.98 74.18 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 124.936 1.294 . . . . 0.0 110.014 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.43 159.09 32.98 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.585 2.19 . . . . 0.0 111.974 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -69.27 -0.91 6.84 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.907 0.883 . . . . 0.0 112.642 169.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.92 -23.59 67.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 169.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.88 157.84 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 111.074 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.39 155.99 18.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.975 0.51 . . . . 0.0 111.878 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.99 125.52 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.877 0.471 . . . . 0.0 110.508 169.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -150.91 170.85 18.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -80.23 162.5 24.61 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.64 -0.662 . . . . 0.0 110.646 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -59.51 -26.5 65.36 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.365 0.666 . . . . 0.0 112.292 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -61.32 -49.9 75.13 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.259 1.024 . . . . 0.0 111.438 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.74 -31.83 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -55.26 -33.25 63.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.446 1.098 . . . . 0.0 112.583 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -70.27 -25.49 63.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.258 0.623 . . . . 0.0 112.54 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.75 -22.97 60.77 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.82 0.848 . . . . 0.0 110.965 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -94.94 -48.5 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.946 0.899 . . . . 0.0 109.507 -170.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -71.12 3.05 3.78 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.53 -23.09 67.25 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.597 0.759 . . . . 0.0 112.5 169.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.3 23.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 CA-C-O 119.064 -0.853 . . . . 0.0 115.056 169.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.37 -176.06 5.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.627 1.213 . . . . 0.0 112.476 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 22.8 m -137.01 -47.34 0.59 Allowed 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.355 0.662 . . . . 0.0 112.325 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' E' ' 58' ' ' PRO . . . -131.84 2.53 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 -168.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' E' ' 57' ' ' ALA . 73.5 Cg_exo -59.29 167.52 5.99 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 123.093 2.14 . . . . 0.0 115.405 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 125.299 1.44 . . . . 0.0 113.016 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.61 149.31 21.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.072 -0.393 . . . . 0.0 111.413 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.0 128.04 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.41 0.684 . . . . 0.0 109.157 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.53 152.13 32.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.973 1.309 . . . . 0.0 109.262 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.73 97.02 4.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.82 145.09 51.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.55 0.74 . . . . 0.0 111.359 -175.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.67 174.18 7.39 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.88 139.12 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -5.6 82.2 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.862 0.744 . . . . 0.0 114.46 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.68 175.66 10.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.762 1.281 . . . . 0.0 112.742 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -145.33 150.07 35.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.504 1.122 . . . . 0.0 110.856 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.41 157.08 41.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 125.627 1.571 . . . . 0.0 108.605 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -130.88 149.48 52.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.285 -0.885 . . . . 0.0 112.159 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.4 mt -136.39 143.13 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.486 1.114 . . . . 0.0 109.07 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.74 -138.46 48.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -124.93 10.0 8.21 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.078 0.951 . . . . 0.0 112.31 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -133.16 -9.89 2.96 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.75 137.63 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.404 1.002 . . . . 0.0 111.217 -171.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -131.35 145.16 51.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.352 1.061 . . . . 0.0 110.589 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -124.25 141.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 126.037 1.735 . . . . 0.0 108.453 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 15.4 m -135.81 138.76 42.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.095 0.958 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -96.11 112.11 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.38 -28.25 41.9 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.649 0.38 . . . . 0.0 110.149 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.28 -169.42 31.52 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.611 0.624 . . . . 0.0 113.327 168.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.34 160.7 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.355 0.662 . . . . 0.0 112.04 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -148.99 95.88 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.493 1.117 . . . . 0.0 109.306 169.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.47 -102.93 1.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -100.47 -19.4 16.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.404 0.602 . . . . 0.0 112.126 171.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.59 144.75 45.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.05 0.54 . . . . 0.0 110.518 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.33 112.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -88.09 124.82 34.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.185 0.594 . . . . 0.0 109.489 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.98 142.45 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.408 1.083 . . . . 0.0 109.845 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.23 143.53 17.56 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.383 0.992 . . . . 0.0 111.128 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 57.3 mt -135.54 127.87 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.497 1.119 . . . . 0.0 109.662 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -124.68 105.72 9.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.577 0.751 . . . . 0.0 109.456 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.28 158.36 75.42 Favored Pre-proline 0 N--CA 1.453 -0.292 0 C-N-CA 124.207 1.003 . . . . 0.0 110.93 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.21 159.72 41.96 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.746 2.297 . . . . 0.0 112.357 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.5 -12.57 45.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -16.38 63.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 112.406 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.35 168.09 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.955 0.902 . . . . 0.0 110.875 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.63 158.88 15.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.347 0.659 . . . . 0.0 111.389 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.01 120.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.552 0.741 . . . . 0.0 109.993 174.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.68 177.73 11.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.937 0.895 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -79.66 164.09 24.04 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.045 -0.409 . . . . 0.0 109.939 168.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.39 -26.05 66.36 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.141 0.576 . . . . 0.0 112.426 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.23 -48.16 82.9 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.868 0.867 . . . . 0.0 111.4 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -83.46 -26.27 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.251 0.621 . . . . 0.0 110.347 -169.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.93 -33.52 62.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.825 0.85 . . . . 0.0 112.686 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -70.35 -22.07 62.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.224 0.609 . . . . 0.0 112.617 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -73.22 -23.05 60.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.581 0.752 . . . . 0.0 110.967 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.41 -48.22 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.77 0.828 . . . . 0.0 109.935 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -70.12 3.02 3.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -24.39 67.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.093 0.957 . . . . 0.0 113.067 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.12 26.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 114.941 0.736 . . . . 0.0 114.941 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -157.97 178.3 10.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.333 1.066 . . . . 0.0 111.408 -169.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 5.8 m -146.55 159.05 43.93 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.403 0.681 . . . . 0.0 110.54 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.32 71.89 1.29 Allowed Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 125.12 1.368 . . . . 0.0 112.848 170.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.72 140.28 56.83 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.386 2.724 . . . . 0.0 112.9 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 125.89 1.676 . . . . 0.0 113.995 172.132 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-C3' 110.886 -3.076 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.511 3.311 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.642 4.442 . 0.511 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 1 O4'-C1'-N19 112.98 4.78 OUTLIER-EPSILON 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.466 1 P-O3'-C3' 126.2 5.416 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 107.471 -5.353 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.41 ' C5 ' ' HD2' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.033 1 O4'-C1'-N19 112.289 4.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.379 3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 P-O3'-C3' 122.336 2.197 . 0.013 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 104.56 3.4 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.756 3.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.453 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 110.332 -3.445 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 C4'-C3'-C2' 98.181 -4.519 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 99.751 -2.949 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.556 3.356 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.416 3.216 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C5'-C4'-C3' 111.08 -2.947 . 0.324 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 1 O4'-C1'-N19 112.313 4.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 C4'-C3'-C2' 98.637 -4.063 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C5'-C4'-C3' 110.047 -3.635 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 4 C4'-C3'-C2' 96.057 -6.643 OUTLIER-DELTA 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C4'-C3'-C2' 100.099 -2.601 . 0.049 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 1 O4'-C1'-N19 112.358 4.158 . 0.898 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 O4'-C1'-N19 112.363 4.163 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 N19-C1'-C2' 108.942 -2.786 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 O4'-C1'-N19 111.545 3.345 . 0.51 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C5'-C4'-C3' 111.268 -2.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 111.967 -2.355 . 0.056 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . 0.417 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 C5'-C4'-C3' 111.335 -2.777 OUTLIER-DELTA 0.026 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 0 O4'-C1'-N19 111.173 2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.417 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.297 -2.403 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.118 2.918 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.269 4.069 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C4'-C3'-C2' 99.357 -3.343 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 111.742 3.542 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 111.722 3.522 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 113.355 5.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.447 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 C4'-C3'-C2' 99.119 -3.581 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.447 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 103.965 2.739 . 0.015 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.693 4.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.435 1 C5'-C4'-C3' 108.934 -4.377 . 0.061 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.799 3.599 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 111.722 -2.518 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 2 C4'-C3'-C2' 98.399 -4.301 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 112.07 3.87 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 O4'-C1'-N19 111.319 3.119 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 O4'-C1'-N19 112.284 4.084 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C4'-C3'-O3' 120.254 3.713 OUTLIER-EPSILON 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 1 P-O3'-C3' 126.879 5.983 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 110.856 2.656 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C5'-C4'-C3' 111.193 -2.871 . 0.373 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O5'-C5'-C4' 116.336 4.383 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C5'-C4'-C3' 111.402 -2.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 1 O4'-C1'-N19 112.46 4.26 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 111.6 -2.6 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C5'-C4'-C3' 111.768 -2.488 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 1 O4'-C1'-N19 113.394 5.194 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 1 O4'-C1'-N19 113.497 5.297 . 0.043 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 112.077 3.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 0 C4'-C3'-C2' 99.639 -3.061 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 111.364 3.164 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.59 3.39 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.476 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.737 -2.509 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C4'-C3'-C2' 99.629 -3.071 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . 0.454 ' P ' HO2' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O5'-C5'-C4' 114.684 3.203 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 0 C5'-C4'-C3' 111.231 -2.846 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 C5'-C4'-C3' 105.953 -6.365 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 1 P-O3'-C3' 126.146 5.372 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 110.922 2.722 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 1 O4'-C1'-N19 112.363 4.163 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.306 3.106 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C4'-C3'-C2' 100.524 -2.176 . 0.642 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 113.48 25.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.137 0.88 . . . . 0.0 109.844 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.46 138.66 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.876 0.87 . . . . 0.0 110.05 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.2 mt -135.09 158.28 44.77 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.618 1.167 . . . . 0.0 109.831 173.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.7 m -126.81 118.02 23.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.821 0.848 . . . . 0.0 109.225 -173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -130.76 138.7 50.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.947 0.499 . . . . 0.0 111.399 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 158.94 18.59 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 168.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -43.28 127.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 111.146 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.7 -5.71 56.9 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.358 0.98 . . . . 0.0 114.584 174.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -92.82 165.55 12.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.973 1.386 . . . . 0.0 112.268 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.56 146.18 47.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.3 mm -110.41 157.4 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.366 1.466 . . . . 0.0 110.053 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.64 139.46 51.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.485 1.114 . . . . 0.0 110.142 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mt -133.72 128.75 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.152 0.981 . . . . 0.0 109.558 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.84 -128.75 32.23 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -123.86 -1.71 8.35 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.735 0.814 . . . . 0.0 112.498 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.76 -19.31 1.36 Allowed 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -169.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.16 132.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 119.188 0.904 . . . . 0.0 110.392 -172.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -127.08 142.09 51.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.749 0.82 . . . . 0.0 109.641 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -123.4 143.79 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.827 1.251 . . . . 0.0 108.335 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -139.29 135.76 34.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.477 0.58 . . . . 0.0 110.237 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.03 100.08 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.66 -30.26 62.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.99 -0.444 . . . . 0.0 110.215 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.77 -173.06 43.35 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 117.709 0.232 . . . . 0.0 113.497 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.84 156.29 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.8 0.84 . . . . 0.0 111.658 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -141.74 62.33 1.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.382 1.073 . . . . 0.0 109.976 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.54 -116.71 4.99 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.29 -14.98 58.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.28 0.632 . . . . 0.0 112.446 -175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -101.17 153.6 19.46 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.982 0.896 . . . . 0.0 112.644 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -132.37 117.3 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.937 1.695 . . . . 0.0 107.868 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -91.82 101.97 14.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.079 0.466 . . . . 0.0 110.046 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.81 133.42 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.881 1.272 . . . . 0.0 109.258 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.21 138.18 13.96 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.718 0.675 . . . . 0.0 111.454 170.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -111.94 130.61 65.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.365 1.466 . . . . 0.0 108.105 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -119.35 74.96 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.297 1.039 . . . . 0.0 109.1 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.37 153.83 40.2 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.191 1.396 . . . . 0.0 110.614 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.99 153.54 57.86 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.491 2.127 . . . . 0.0 110.405 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -68.0 -4.32 12.9 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.63 -22.95 63.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 112.29 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.91 144.08 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.803 0.811 . . . . 0.0 111.685 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.08 30.91 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.157 0.983 . . . . 0.0 110.842 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 129.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.699 0.4 . . . . 0.0 110.743 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -153.29 174.49 14.23 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.031 0.932 . . . . 0.0 110.762 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -108.1 164.78 11.99 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.704 0.402 . . . . 0.0 111.657 169.144 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.23 -24.43 67.34 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.22 -13.91 62.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.703 0.801 . . . . 0.0 111.902 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.16 -28.81 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.578 1.151 . . . . 0.0 110.907 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.94 -31.89 73.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.391 -0.818 . . . . 0.0 110.678 -174.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.22 -16.67 60.96 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.656 0.782 . . . . 0.0 111.67 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.28 -34.95 48.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 110.951 169.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.7 -51.61 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.615 0.766 . . . . 0.0 109.229 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -84.08 5.13 27.17 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.76 0.824 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.46 67.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.869 0.468 . . . . 0.0 111.947 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.41 -9.44 0.93 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 123.996 0.808 . . . . 0.0 113.126 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.19 90.85 6.03 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.287 1.041 . . . . 0.0 111.123 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -118.44 155.14 31.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.614 -0.679 . . . . 0.0 111.049 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 151.11 83.02 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.707 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.11 -24.42 58.26 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.367 2.711 . . . . 0.0 113.553 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 122.718 0.407 . . . . 0.0 111.684 -169.703 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.7 122.55 44.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 168.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -118.99 140.09 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.937 0.495 . . . . 0.0 111.968 -164.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -141.55 135.28 29.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.381 1.072 . . . . 0.0 111.079 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.0 p -86.83 125.32 33.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 166.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.47 121.77 37.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.003 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -74.42 155.25 38.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.867 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.4 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 24.5 m -63.32 124.63 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.852 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.55 56.71 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 118.926 -0.93 . . . . 0.0 115.031 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -90.88 166.57 13.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 119.05 1.425 . . . . 0.0 111.755 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -129.26 157.58 41.47 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.704 0.802 . . . . 0.0 113.026 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 22.6 mt -132.76 155.24 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.24 1.816 . . . . 0.0 109.532 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.23 139.0 40.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.922 -171.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.03 126.61 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.327 1.051 . . . . 0.0 109.462 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.01 52.2 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.03 4.91 5.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.809 0.844 . . . . 0.0 112.869 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -111.08 -22.1 11.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.71 137.76 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.983 0.81 . . . . 0.0 111.51 -169.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.54 152.19 51.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.016 1.326 . . . . 0.0 109.732 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -129.92 146.36 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.246 1.818 . . . . 0.0 107.737 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -139.32 133.58 31.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.669 0.388 . . . . 0.0 110.07 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.65 98.97 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -69.07 -32.81 72.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 122.097 -0.377 . . . . 0.0 111.283 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.4 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.05 -174.09 37.6 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 122.134 -0.079 . . . . 0.0 113.138 169.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.39 154.23 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.187 0.595 . . . . 0.0 110.912 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -138.3 77.81 1.65 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.732 1.213 . . . . 0.0 108.507 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.58 -115.9 4.25 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.443 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.71 15.12 23.92 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.078 0.439 . . . . 0.0 111.494 169.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -99.02 156.43 16.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.789 1.235 . . . . 0.0 109.962 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -140.31 119.86 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.782 0.833 . . . . 0.0 109.131 -168.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.52 119.21 30.6 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.935 1.294 . . . . 0.0 109.27 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.02 133.61 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.062 0.945 . . . . 0.0 110.377 -169.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.59 143.9 16.73 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 123.818 0.723 . . . . 0.0 112.204 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mt -125.98 129.73 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.231 1.012 . . . . 0.0 109.3 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -130.29 74.98 1.62 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.556 -168.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.49 48.27 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.416 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.84 156.6 37.37 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.779 1.653 . . . . 0.0 110.176 169.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -0.92 19.66 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 121.742 0.782 . . . . 0.0 111.04 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -22.82 66.57 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.837 1.655 . . . . 0.0 111.743 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.75 144.08 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.237 1.015 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.504 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -85.25 141.88 29.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.509 0.671 . . . . 0.0 111.602 171.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.418 HG22 ' H1 ' ' G' ' 28' ' ' ' G' . 11.7 t -141.98 95.4 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.053 -166.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.504 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -147.1 159.62 43.38 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 121.953 -0.467 . . . . 0.0 112.049 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.9 ptt-85 -67.15 160.54 26.62 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.169 0.588 . . . . 0.0 111.884 170.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -57.15 -41.08 78.47 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.217 0.607 . . . . 0.0 112.436 -172.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.07 -1.81 11.01 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -106.13 -51.67 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.279 1.031 . . . . 0.0 109.57 169.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -50.61 -37.11 38.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.452 1.501 . . . . 0.0 112.276 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.95 -21.81 63.23 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -80.97 -39.86 25.36 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.588 0.631 . . . . 0.0 110.683 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 99.7 mt -65.0 -39.04 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -80.4 5.04 16.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 173.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 -17.67 43.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.281 0.633 . . . . 0.0 112.075 169.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.51 47.36 0.09 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-O 119.526 -0.597 . . . . 0.0 114.417 169.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.94 -176.38 2.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.761 0.781 . . . . 0.0 112.882 -168.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -128.94 175.58 8.55 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.437 1.495 . . . . 0.0 109.016 167.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.95 118.46 0.67 Allowed Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.88 1.672 . . . . 0.0 113.282 -176.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -67.9 151.95 77.63 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.483 2.122 . . . . 0.0 112.987 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 124.032 0.933 . . . . 0.0 112.686 167.384 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 110.2 18.07 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.566 1.547 . . . . 0.0 106.945 164.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.31 136.17 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 124.171 0.988 . . . . 0.0 110.111 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.205 1.002 . . . . 0.0 109.549 169.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -94.89 147.26 23.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.014 0.526 . . . . 0.0 110.248 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 150.9 36.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.668 0.787 . . . . 0.0 111.374 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -85.36 156.13 21.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.195 0.998 . . . . 0.0 108.826 169.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.86 141.19 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 119.211 0.914 . . . . 0.0 111.686 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.42 -3.24 86.81 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.677 1.132 . . . . 0.0 114.743 -174.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.59 -176.08 6.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.712 1.756 . . . . 0.0 113.306 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -140.72 147.42 39.16 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 125.256 1.423 . . . . 0.0 112.318 -166.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.3 mm -144.15 153.92 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 126.996 2.118 . . . . 0.0 107.529 -174.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.38 147.07 51.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.256 -0.902 . . . . 0.0 112.044 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -135.12 134.57 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.585 1.154 . . . . 0.0 109.221 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -140.17 46.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.789 0.709 . . . . 0.0 111.7 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -120.14 9.97 11.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.302 1.041 . . . . 0.0 111.35 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -127.89 -14.95 4.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 112.936 -170.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.38 136.55 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 118.614 0.643 . . . . 0.0 110.826 -172.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -126.16 138.93 53.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.571 1.148 . . . . 0.0 108.972 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.21 138.91 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -129.0 142.67 50.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.128 0.971 . . . . 0.0 109.45 -172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -103.08 129.59 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.47 -38.47 7.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.27 176.86 39.0 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.506 -0.378 . . . . 0.0 114.042 166.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.01 147.62 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.262 169.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -144.54 98.61 3.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.902 1.281 . . . . 0.0 107.862 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.84 -140.88 23.77 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.828 -169.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.76 5.67 24.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.963 0.905 . . . . 0.0 110.423 168.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.93 145.56 24.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.35 113.31 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -172.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -83.48 111.75 19.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.8 138.34 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.04 1.736 . . . . 0.0 109.114 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.42 139.9 14.66 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.022 0.82 . . . . 0.0 111.288 170.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.4 122.12 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.899 0.88 . . . . 0.0 108.815 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -123.28 93.05 3.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.942 0.497 . . . . 0.0 110.227 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.89 156.95 79.52 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.63 1.172 . . . . 0.0 110.057 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.38 152.39 77.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.654 2.236 . . . . 0.0 111.152 171.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.7 -0.92 3.24 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.369 0.668 . . . . 0.0 112.606 172.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.93 -22.21 66.48 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.277 1.031 . . . . 0.0 111.23 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.52 146.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.305 1.042 . . . . 0.0 110.517 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.34 156.99 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.577 0.351 . . . . 0.0 111.28 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.36 132.71 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 123.264 0.626 . . . . 0.0 109.666 172.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.17 165.16 36.75 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.145 0.578 . . . . 0.0 112.427 -173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -69.63 155.14 40.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 166.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -60.11 -35.13 74.55 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.484 0.584 . . . . 0.0 111.599 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.22 -16.93 61.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.32 -35.15 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.886 0.874 . . . . 0.0 110.848 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -52.79 -35.27 56.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.68 1.192 . . . . 0.0 112.28 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.34 -27.46 65.94 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.8 0.84 . . . . 0.0 112.402 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -69.96 -40.32 75.48 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.584 0.753 . . . . 0.0 111.79 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.36 -21.02 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -95.81 2.03 53.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.705 1.202 . . . . 0.0 113.051 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 4.09 3.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.87 20.13 3.86 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.136 0.875 . . . . 0.0 113.137 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.76 -6.37 37.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.754 0.822 . . . . 0.0 112.903 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -67.14 -15.4 63.69 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.276 1.03 . . . . 0.0 112.616 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.8 139.06 34.25 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.974 0.909 . . . . 0.0 110.378 169.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -65.96 175.95 4.19 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.758 2.305 . . . . 0.0 112.881 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 N--CA 1.455 -0.195 0 C-N-CA 124.131 0.972 . . . . 0.0 112.843 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -122.74 110.34 15.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.583 1.953 . . . . 0.0 106.986 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -93.56 142.93 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.597 1.159 . . . . 0.0 109.749 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.4 136.78 18.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.9 1.28 . . . . 0.0 109.849 -168.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.4 p -97.48 133.98 41.33 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.425 0.557 . . . . 0.0 109.727 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.26 154.28 43.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 167.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.2 154.96 18.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.404 171.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.14 125.95 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.158 0.504 . . . . 0.0 111.053 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.67 -5.5 67.0 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.132 0.872 . . . . 0.0 113.908 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.21 170.46 10.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.65 1.225 . . . . 0.0 111.808 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -132.11 158.77 40.75 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.12 158.1 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 128.045 2.538 . . . . 0.0 107.899 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -131.92 153.0 50.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.051 -1.031 . . . . 0.0 111.329 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -134.18 135.98 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.94 1.296 . . . . 0.0 109.323 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -136.61 49.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.14 9.62 8.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.086 0.954 . . . . 0.0 111.762 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.05 -12.18 1.94 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -171.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.73 132.8 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 118.906 0.775 . . . . 0.0 110.524 -171.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -119.26 148.96 42.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.149 0.98 . . . . 0.0 110.062 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -130.49 142.64 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.727 1.611 . . . . 0.0 107.973 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 56.9 m -138.45 130.48 28.36 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.25 106.29 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.91 -35.54 57.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.728 -0.608 . . . . 0.0 111.007 -168.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.22 -173.83 44.82 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.268 0.461 . . . . 0.0 112.311 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.99 158.92 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.16 0.584 . . . . 0.0 110.761 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -143.24 75.12 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.763 0.825 . . . . 0.0 108.999 172.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.94 -113.14 3.65 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.82 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.31 -6.31 57.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.73 0.812 . . . . 0.0 110.585 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -85.26 158.56 20.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.935 0.874 . . . . 0.0 113.118 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -128.91 123.58 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.869 167.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -92.36 116.94 29.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -125.99 131.98 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.249 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.3 134.6 11.82 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 124.047 0.832 . . . . 0.0 111.092 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.04 140.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.36 1.064 . . . . 0.0 108.826 173.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -138.08 90.01 2.44 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.614 0.765 . . . . 0.0 109.708 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.61 158.63 46.72 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.602 1.161 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.55 150.91 87.31 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.047 1.831 . . . . 0.0 110.619 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -67.63 -0.97 4.41 Favored 'General case' 0 CA--C 1.526 0.03 0 C-N-CA 123.33 0.652 . . . . 0.0 112.719 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -69.76 -18.96 63.53 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.91 1.284 . . . . 0.0 112.0 168.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.59 160.11 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.158 0.983 . . . . 0.0 110.83 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.17 157.02 16.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.536 0.734 . . . . 0.0 112.596 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.09 127.44 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -152.5 173.38 15.21 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 123.521 0.729 . . . . 0.0 112.4 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtp-105 -71.78 163.94 26.89 Favored 'General case' 0 C--O 1.227 -0.115 0 O-C-N 122.091 -0.381 . . . . 0.0 110.341 168.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.59 -40.0 93.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.028 0.531 . . . . 0.0 111.774 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.32 -26.36 67.27 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.41 -44.81 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.6 0.76 . . . . 0.0 109.945 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -48.83 -34.91 13.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.469 1.908 . . . . 0.0 113.002 -176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.92 -21.02 66.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.739 0.816 . . . . 0.0 113.004 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -46.2 14.01 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.958 0.903 . . . . 0.0 109.453 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.433 ' CD1' ' H ' ' D' ' 51' ' ' ILE . 4.3 mp -59.6 -18.81 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 126.108 1.763 . . . . 0.0 111.24 173.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.86 -23.93 14.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.01 -22.57 10.97 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.22 -6.24 0.18 Allowed Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.028 0.823 . . . . 0.0 113.319 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.99 55.72 5.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 127.295 2.238 . . . . 0.0 112.006 169.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 52.5 p -72.36 -34.92 68.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.448 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.84 82.78 54.66 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 125.091 1.356 . . . . 0.0 108.224 169.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -55.17 168.45 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 124.2 3.267 . . . . 0.0 114.25 -169.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 124.376 1.07 . . . . 0.0 113.257 179.261 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tt -105.93 118.78 37.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.341 0.657 . . . . 0.0 110.983 -168.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.2 135.69 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.041 0.936 . . . . 0.0 109.408 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -132.04 164.53 26.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.564 1.546 . . . . 0.0 110.553 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.84 100.79 4.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 167.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -113.26 141.3 47.15 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.531 1.132 . . . . 0.0 110.272 -173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -97.61 168.16 10.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.54 135.13 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.321 -169.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -4.06 82.11 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.129 0.871 . . . . 0.0 114.219 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -92.03 164.02 13.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.779 1.29 . . . . 0.0 111.495 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -130.39 158.63 39.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -169.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 25.0 mt -142.08 156.33 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.264 1.826 . . . . 0.0 108.076 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.23 148.24 47.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.557 -0.714 . . . . 0.0 112.789 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -137.16 137.76 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.693 1.197 . . . . 0.0 109.026 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -136.85 50.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.22 9.99 6.79 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.919 0.888 . . . . 0.0 112.477 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.54 -12.17 4.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.48 135.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 119.204 0.911 . . . . 0.0 111.121 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -128.12 143.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.555 1.142 . . . . 0.0 109.962 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.29 143.31 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.34 1.456 . . . . 0.0 108.239 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -138.26 129.32 27.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.932 0.493 . . . . 0.0 110.074 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -77.44 109.76 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 169.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.99 -27.21 39.65 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.988 -0.445 . . . . 0.0 111.075 -175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -174.27 33.42 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.454 0.549 . . . . 0.0 113.296 169.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.44 157.79 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.582 0.753 . . . . 0.0 111.928 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -149.61 89.94 1.67 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.764 1.225 . . . . 0.0 109.28 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.24 -116.06 5.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -173.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.64 -20.69 22.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.409 0.605 . . . . 0.0 111.556 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -74.56 141.81 44.74 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.215 0.531 . . . . 0.0 110.065 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.13 117.63 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -85.25 127.24 34.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.8 135.46 55.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.216 -168.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 140.03 15.22 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 124.504 1.05 . . . . 0.0 111.334 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.96 124.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.59 1.156 . . . . 0.0 109.162 -177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -124.68 98.97 5.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.5 155.31 75.46 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.585 1.154 . . . . 0.0 110.309 177.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.31 159.82 37.9 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.974 2.449 . . . . 0.0 112.153 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -73.45 -0.88 16.22 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.54 -20.66 66.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.084 0.954 . . . . 0.0 111.506 168.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -126.12 160.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.264 1.026 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 159.18 15.07 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 129.13 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.234 0.614 . . . . 0.0 110.373 169.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -151.3 169.45 21.92 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.204 1.002 . . . . 0.0 110.978 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -77.61 166.65 22.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.77 -0.581 . . . . 0.0 109.637 168.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -30.22 61.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.08 -33.9 76.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.016 0.927 . . . . 0.0 111.417 -175.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.91 -38.55 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.727 0.811 . . . . 0.0 109.102 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -55.42 -35.1 65.02 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.557 0.743 . . . . 0.0 112.725 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -65.8 -21.96 66.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.651 0.781 . . . . 0.0 112.388 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -83.89 -26.67 29.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.477 0.711 . . . . 0.0 110.924 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.83 -56.75 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.613 0.765 . . . . 0.0 109.464 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -76.96 2.95 13.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.628 0.771 . . . . 0.0 112.503 -170.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.33 67.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.995 0.918 . . . . 0.0 112.817 170.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.56 30.69 0.03 OUTLIER Glycine 0 C--N 1.338 0.688 0 N-CA-C 114.746 0.658 . . . . 0.0 114.746 169.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -159.21 -172.78 3.89 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 111.335 -169.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 9.7 m -123.21 -29.96 3.79 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.174 0.59 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.82 126.6 26.02 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.588 0.755 . . . . 0.0 110.13 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -52.46 142.15 49.19 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.491 2.794 . . . . 0.0 113.324 174.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t0 . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 125.238 1.415 . . . . 0.0 112.829 175.558 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.1 149.27 21.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.125 -0.36 . . . . 0.0 111.437 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.21 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 124.088 0.955 . . . . 0.0 108.703 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -131.88 162.24 31.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.749 1.219 . . . . 0.0 109.778 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.37 97.05 4.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 168.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -110.94 142.19 43.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.481 1.112 . . . . 0.0 110.316 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -96.37 168.67 10.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.32 137.6 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.374 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -4.89 82.13 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.086 0.85 . . . . 0.0 114.106 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.5 171.56 8.83 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.744 1.272 . . . . 0.0 111.919 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 24.7 m -135.25 158.46 44.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.606 0.717 . . . . 0.0 112.362 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -143.2 153.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.241 1.417 . . . . 0.0 107.965 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -135.02 153.06 52.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.771 0.796 . . . . 0.0 112.246 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.32 139.69 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.347 1.459 . . . . 0.0 109.667 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.07 -138.19 47.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -121.52 9.59 10.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.086 0.954 . . . . 0.0 111.776 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.07 -13.9 0.91 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.24 133.84 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 119.124 0.875 . . . . 0.0 110.679 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -129.2 144.31 51.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.009 0.924 . . . . 0.0 110.568 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -124.75 142.19 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.36 1.864 . . . . 0.0 108.272 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.63 129.04 32.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 109.885 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.8 109.36 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -82.13 -27.45 32.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.56 0.744 . . . . 0.0 110.987 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.48 -173.16 34.29 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.282 0.468 . . . . 0.0 113.363 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.69 158.95 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.418 0.687 . . . . 0.0 112.153 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -149.8 91.8 1.84 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.837 1.255 . . . . 0.0 109.122 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.72 -103.06 1.28 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.842 -0.536 . . . . 0.0 111.933 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -101.46 -19.7 15.44 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 117.448 0.624 . . . . 0.0 112.196 170.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.5 140.62 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t -130.49 115.31 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -87.19 127.17 35.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.541 0.736 . . . . 0.0 109.149 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.43 141.42 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 124.047 0.939 . . . . 0.0 110.445 -167.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.23 140.43 16.33 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.059 0.838 . . . . 0.0 111.075 171.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -129.35 136.7 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.186 0.994 . . . . 0.0 109.43 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -130.43 109.65 10.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.909 0.884 . . . . 0.0 109.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.62 157.79 76.51 Favored Pre-proline 0 N--CA 1.454 -0.252 0 C-N-CA 123.779 0.831 . . . . 0.0 111.027 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.74 159.84 43.42 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.814 2.343 . . . . 0.0 112.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.35 -11.72 35.21 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 172.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.91 -15.65 61.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.961 1.304 . . . . 0.0 112.594 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.74 165.28 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.762 0.825 . . . . 0.0 111.156 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 159.78 14.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.113 0.565 . . . . 0.0 111.607 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.0 122.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.475 0.71 . . . . 0.0 110.059 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -153.61 174.19 14.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.106 0.962 . . . . 0.0 110.188 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.1 162.49 25.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.889 -0.507 . . . . 0.0 110.127 168.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.32 -25.2 67.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.99 0.516 . . . . 0.0 112.279 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -58.51 -43.61 89.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.976 0.911 . . . . 0.0 111.775 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.11 -29.93 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.486 0.714 . . . . 0.0 109.616 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -51.91 -34.08 39.85 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.022 0.929 . . . . 0.0 112.649 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -66.02 -23.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.66 -0.65 . . . . 0.0 112.431 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -83.88 -27.57 28.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.505 0.722 . . . . 0.0 111.064 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.54 -48.13 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.375 1.07 . . . . 0.0 109.815 171.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -83.72 3.01 35.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.756 1.222 . . . . 0.0 112.346 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.58 11.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.117 0.967 . . . . 0.0 113.463 176.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.23 29.65 0.65 Allowed Glycine 0 CA--C 1.525 0.665 0 CA-C-O 119.14 -0.811 . . . . 0.0 114.004 169.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.02 -57.76 0.55 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.341 1.07 . . . . 0.0 113.808 -170.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m 41.29 42.13 1.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.73 1.212 . . . . 0.0 112.341 -168.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.05 132.46 5.63 Favored Pre-proline 0 N--CA 1.452 -0.363 0 C-N-CA 124.675 1.19 . . . . 0.0 109.419 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.55 -177.58 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.759 2.306 . . . . 0.0 113.303 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 124.069 0.948 . . . . 0.0 112.097 174.659 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C5'-C4'-C3' 110.967 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C4'-C3'-C2' 99.491 -3.209 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 O4'-C1'-N19 112.479 4.279 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 112.042 3.842 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.105 2.905 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C5'-C4'-O4' 114.161 3.544 . 0.097 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.51 " H3'" ' C2 ' ' G' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 C5'-C4'-C3' 109.071 -4.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.243 3.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 O5'-C5'-C4' 113.351 2.251 . 0.015 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 1 C5'-C4'-C3' 109.396 -4.07 . 0.155 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O5'-C5'-C4' 114.484 3.06 . 0.02 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C4'-C3' 107.991 1.779 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 C5'-C4'-C3' 108.386 -4.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 99.76 -2.94 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.604 3.404 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 O4'-C1'-N19 111.059 2.859 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 C4'-C3'-C2' 100.252 -2.448 . 0.389 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.532 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 1 C1'-O4'-C4' 104.762 -5.375 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 1 O4'-C1'-N19 113.148 4.948 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.908 4.708 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C4'-C3'-C2' 100.03 -2.67 . 0.376 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 O4'-C1'-N19 112.51 4.31 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.986 3.786 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 N19-C1'-C2' 109.175 -2.641 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O4'-C1'-N19 111.462 3.262 . 0.622 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C4'-C3' 109.007 2.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.418 ' H1 ' HG22 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 111.904 -2.397 . 0.101 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . 0.55 " H2'" H5'' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.776 -3.149 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.55 H5'' " H2'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O5'-C5'-C4' 117.197 4.998 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 P-O3'-C3' 126.853 5.961 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 O4'-C1'-N19 111.319 3.119 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.514 4.314 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.153 -3.547 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C4'-C3'-C2' 99.255 -3.445 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 112.162 3.962 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 113.679 5.479 . 0.135 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.486 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.325 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.486 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 P-O3'-C3' 122.005 1.921 . 0.1 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 1 O4'-C1'-N19 112.672 4.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 C5'-C4'-C3' 109.37 -4.087 . 0.091 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 2 O4'-C1'-N19 114.424 6.224 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 1 C5'-C4'-C3' 109.47 -4.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.806 3.606 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 O4'-C1'-N19 112.438 4.238 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.191 2.991 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 1 O4'-C1'-N19 112.374 4.174 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.493 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 104.948 3.831 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.493 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.373 -3.327 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C5'-C4'-C3' 111.086 -2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C5'-C4'-C3' 111.249 -2.834 . 0.427 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 O5'-C5'-C4' 117.089 4.921 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 111.838 -2.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.371 4.171 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C4'-C3'-C2' 100.224 -2.476 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.301 3.101 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 O4'-C1'-N19 112.978 4.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 1 O4'-C1'-N19 113.653 5.453 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C5'-C4'-C3' 109.602 -3.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 O4'-C1'-N19 111.72 3.52 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.234 3.034 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 C3'-C2'-C1' 105.408 4.343 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-O4' 114.348 3.677 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 P-O3'-C3' 123.689 3.324 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 110.464 2.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 C5'-C4'-C3' 111.673 -2.551 . 0.161 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 2 C5'-C4'-C3' 105.691 -6.539 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 1 P-O3'-C3' 125.615 4.929 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 100.194 -2.506 . 0.931 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.219 4.019 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.519 3.319 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.983 3.87 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.774 -0.631 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 112.62 25.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.948 0.794 . . . . 0.0 109.618 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.21 138.63 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.801 0.84 . . . . 0.0 109.459 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -135.05 154.7 51.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.989 0.916 . . . . 0.0 109.922 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.0 m -117.91 101.44 8.29 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.479 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.29 139.07 42.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.068 0.947 . . . . 0.0 110.927 -168.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -103.73 156.33 17.89 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.149 0.431 . . . . 0.0 110.608 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.05 124.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.571 0.748 . . . . 0.0 110.917 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.87 -5.18 72.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.214 0.911 . . . . 0.0 114.447 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.39 166.9 11.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.643 1.221 . . . . 0.0 111.301 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -137.2 148.99 46.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -168.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 31.8 mm -109.5 155.46 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.7 1.6 . . . . 0.0 109.652 169.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -127.43 138.33 52.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.656 1.182 . . . . 0.0 109.879 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mt -134.11 131.54 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.159 0.983 . . . . 0.0 109.474 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.64 -128.96 30.21 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -127.1 -0.27 6.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.911 0.885 . . . . 0.0 112.364 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -135.7 -17.76 1.69 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 139.03 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.697 0.68 . . . . 0.0 110.282 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 m -134.64 143.79 47.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.7 0.8 . . . . 0.0 109.185 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -125.8 138.8 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 108.204 -176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.6 m -134.12 132.89 40.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.293 0.497 . . . . 0.0 110.028 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -82.03 101.19 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 169.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.33 -30.29 63.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.104 -0.373 . . . . 0.0 110.17 -174.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.03 -176.78 43.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 113.73 0.252 . . . . 0.0 113.73 168.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.93 144.4 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.056 0.942 . . . . 0.0 111.044 -172.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -138.39 68.71 1.39 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.798 1.239 . . . . 0.0 109.898 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -118.05 6.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.85 -12.38 59.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.464 0.706 . . . . 0.0 112.149 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -105.55 149.79 25.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.822 0.82 . . . . 0.0 112.377 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.4 130.41 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 126.75 2.02 . . . . 0.0 108.202 -169.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -109.02 101.95 10.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.149 0.5 . . . . 0.0 110.702 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.66 135.38 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.429 1.491 . . . . 0.0 109.523 -172.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.33 137.91 14.23 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.772 0.701 . . . . 0.0 111.557 170.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.05 132.53 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.131 1.372 . . . . 0.0 108.377 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -118.9 76.89 1.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.697 1.199 . . . . 0.0 109.267 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 152.73 45.89 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.786 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.68 154.4 54.42 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.486 2.124 . . . . 0.0 110.474 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -68.01 -5.39 17.09 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.37 -25.59 65.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 0.0 112.274 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -115.18 144.0 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 121.899 0.857 . . . . 0.0 111.809 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.75 143.09 40.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.356 1.062 . . . . 0.0 111.503 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.26 120.35 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.525 0.73 . . . . 0.0 109.329 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -144.92 -175.96 4.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.293 1.037 . . . . 0.0 110.067 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 164.05 27.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.39 -34.26 68.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.41 1.484 . . . . 0.0 113.672 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -61.14 -19.91 62.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 112.296 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -122.3 -24.97 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 125.612 1.565 . . . . 0.0 110.792 -173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -61.83 -31.61 71.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.367 -0.833 . . . . 0.0 110.479 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -74.77 -19.18 60.32 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.054 0.942 . . . . 0.0 111.607 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.93 -37.35 40.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.266 1.026 . . . . 0.0 111.159 170.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.11 -50.77 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.677 0.791 . . . . 0.0 109.333 175.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -84.16 5.21 27.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.615 0.766 . . . . 0.0 112.721 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.91 -23.34 67.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 169.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.94 -5.97 2.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.95 0.785 . . . . 0.0 113.297 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.34 90.85 8.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.566 1.174 . . . . 0.0 111.716 -171.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -136.2 -15.46 1.71 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.056 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.2 153.88 92.3 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 123.49 0.716 . . . . 0.0 111.187 171.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.33 160.68 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.349 2.699 . . . . 0.0 111.824 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 t70 . . . . . 0 N--CA 1.453 -0.277 0 C-N-CA 125.168 1.387 . . . . 0.0 112.572 174.463 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.5 tpp . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -112.69 121.42 44.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.05 140.13 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -165.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -135.26 135.09 40.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.64 1.176 . . . . 0.0 110.818 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -102.43 105.37 15.94 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -121.86 145.16 48.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.556 1.142 . . . . 0.0 111.274 -168.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -91.18 159.47 16.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.437 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.94 130.01 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.197 0.522 . . . . 0.0 110.551 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.99 -5.67 72.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.974 -0.903 . . . . 0.0 114.63 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -87.26 161.65 17.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.208 1.504 . . . . 0.0 111.705 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -128.07 153.2 47.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.739 0.816 . . . . 0.0 111.987 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 mt -132.76 155.16 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.167 1.387 . . . . 0.0 109.227 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -135.09 130.16 35.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.066 0.546 . . . . 0.0 110.893 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.66 135.63 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 117.071 -1.443 . . . . 0.0 107.373 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 26.4 118.32 0.0 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 115.842 -2.644 . . . . 0.0 110.029 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.46 4.95 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 120.846 3.647 . . . . 0.0 120.846 -155.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.5 m-20 -86.63 -23.74 25.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.911 1.284 . . . . 0.0 112.175 163.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.78 141.13 27.01 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 121.405 1.911 . . . . 0.0 112.822 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.7 m -134.75 150.53 50.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.254 1.422 . . . . 0.0 109.458 168.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -127.79 148.48 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.506 1.522 . . . . 0.0 108.321 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -141.01 125.8 18.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.768 0.427 . . . . 0.0 110.557 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.42 113.42 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.68 -32.02 28.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.883 -0.511 . . . . 0.0 110.167 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.22 178.68 38.59 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 113.445 0.138 . . . . 0.0 113.445 170.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.3 152.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.202 0.601 . . . . 0.0 110.952 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -134.98 76.93 1.65 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.558 1.143 . . . . 0.0 108.542 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.9 -119.39 5.05 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 9.69 42.96 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.953 0.501 . . . . 0.0 110.704 176.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.96 151.37 20.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.334 1.054 . . . . 0.0 110.034 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 t -139.76 112.06 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.603 0.761 . . . . 0.0 109.147 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -90.99 113.22 25.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.135 1.374 . . . . 0.0 109.233 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.36 134.51 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.793 1.237 . . . . 0.0 110.479 -168.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.73 140.5 15.07 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.418 0.532 . . . . 0.0 111.804 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.21 131.06 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.888 0.875 . . . . 0.0 109.25 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -130.72 74.98 1.63 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.166 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 156.32 51.98 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.043 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' B' ' 39' ' ' ASP . 25.2 Cg_endo -56.95 153.59 37.17 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.517 1.478 . . . . 0.0 110.205 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -66.01 -0.72 2.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.272 0.629 . . . . 0.0 111.911 170.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' B' ' 37' ' ' PRO . 2.1 t70 -65.94 -31.08 71.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.994 1.717 . . . . 0.0 111.981 173.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.37 144.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.408 1.083 . . . . 0.0 110.326 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.433 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -84.44 141.92 30.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.635 0.731 . . . . 0.0 111.786 169.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 t -144.62 98.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.665 -166.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.433 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -147.45 159.35 43.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.826 -0.546 . . . . 0.0 111.754 178.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.5 ptt-85 -65.11 157.37 28.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.702 0.401 . . . . 0.0 111.212 169.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.62 -39.66 74.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.04 -5.92 24.88 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mm -101.44 -51.44 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.036 0.934 . . . . 0.0 109.812 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -50.84 -36.92 40.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.912 1.285 . . . . 0.0 112.198 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.42 -22.19 62.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -78.12 -42.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.91 0.777 . . . . 0.0 110.201 169.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.96 -39.12 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.312 0.645 . . . . 0.0 109.262 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -81.19 4.96 18.39 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.99 -19.85 43.12 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.177 0.591 . . . . 0.0 111.518 168.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.28 48.53 0.08 OUTLIER Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.987 169.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.95 -176.39 2.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.732 0.766 . . . . 0.0 112.505 -168.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -128.05 -176.97 3.95 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.261 1.425 . . . . 0.0 109.577 168.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.96 123.38 1.97 Allowed Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.208 1.003 . . . . 0.0 111.536 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -62.29 173.32 3.42 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.908 2.405 . . . . 0.0 114.33 -170.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.194 0.998 . . . . 0.0 112.181 176.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.358 -0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 112.21 25.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 168.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.03 135.04 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.857 0.863 . . . . 0.0 110.029 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.57 134.86 48.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.154 0.982 . . . . 0.0 109.803 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -88.79 139.71 30.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.406 HH21 ' HB ' ' C' ' 22' ' ' ILE . 6.1 mtm180 -131.22 164.01 26.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.348 0.659 . . . . 0.0 109.418 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.477 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 10.1 tptm -114.85 153.19 30.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.56 132.25 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-N 119.52 1.055 . . . . 0.0 111.893 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.55 -4.4 72.88 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.967 1.27 . . . . 0.0 114.651 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.38 173.21 12.58 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.791 1.795 . . . . 0.0 113.295 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -143.95 155.54 44.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.212 1.405 . . . . 0.0 111.032 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.406 HG13 ' HD3' ' C' ' 6' ' ' ARG . 39.7 mm -142.11 149.78 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 126.344 1.858 . . . . 0.0 108.41 -171.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.36 140.57 49.01 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.596 0.758 . . . . 0.0 110.855 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -126.65 130.0 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 108.295 170.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.06 -135.15 52.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -168.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -123.94 10.0 8.82 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.853 0.861 . . . . 0.0 111.145 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -123.75 -16.87 6.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.232 1.013 . . . . 0.0 112.98 -169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.7 137.84 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.442 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -125.43 138.68 54.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.588 1.155 . . . . 0.0 109.506 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mm -120.02 142.0 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.121 0.968 . . . . 0.0 108.848 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -135.7 137.62 41.95 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.286 0.635 . . . . 0.0 110.505 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.406 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.3 tp -95.61 122.11 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -95.06 -37.41 11.11 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -177.27 43.65 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.004 -0.617 . . . . 0.0 114.291 168.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.53 148.36 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.574 0.75 . . . . 0.0 110.379 170.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.6 m -146.32 109.91 4.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.852 1.261 . . . . 0.0 107.939 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.65 -141.89 29.17 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.239 -169.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -86.96 6.03 34.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.796 0.838 . . . . 0.0 110.846 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.07 145.5 25.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.771 1.628 . . . . 0.0 111.105 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.47 126.02 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.877 0.871 . . . . 0.0 108.707 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -87.11 114.24 23.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -118.29 134.01 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 125.352 1.461 . . . . 0.0 108.845 -173.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.91 143.38 15.79 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.107 0.861 . . . . 0.0 111.836 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -131.25 122.15 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.747 1.219 . . . . 0.0 108.585 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -124.49 95.99 4.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.108 0.563 . . . . 0.0 110.18 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.83 158.15 76.13 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.467 1.107 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -62.19 152.54 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.625 2.217 . . . . 0.0 111.227 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.76 -0.87 2.39 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.482 0.713 . . . . 0.0 112.645 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.98 -22.31 66.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.276 1.031 . . . . 0.0 111.463 169.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.61 146.09 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.112 0.965 . . . . 0.0 110.522 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.13 155.48 23.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 122.695 0.398 . . . . 0.0 111.155 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.05 132.17 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -153.87 164.24 38.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.487 0.715 . . . . 0.0 111.261 -176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.501 HH21 HD23 ' D' ' 4' ' ' LEU . 7.7 ptp85 -81.9 158.57 23.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 166.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -60.12 -35.74 75.93 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -169.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.43 -14.47 61.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mm -97.34 -36.81 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.491 0.716 . . . . 0.0 110.634 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -51.29 -36.68 43.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.539 1.136 . . . . 0.0 112.655 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.4 -30.89 67.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 112.358 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -68.03 -36.76 80.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.572 0.749 . . . . 0.0 111.899 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.05 -18.94 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 O-C-N 121.975 -0.453 . . . . 0.0 109.886 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -93.2 -0.44 56.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.309 0.643 . . . . 0.0 112.251 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.91 -11.28 26.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.438 1.095 . . . . 0.0 112.862 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 134.18 7.06 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -105.0 -48.67 3.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.076 0.55 . . . . 0.0 110.757 -168.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.6 p -86.88 -23.95 25.06 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.986 0.914 . . . . 0.0 111.866 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 87.42 15.88 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.301 1.041 . . . . 0.0 109.944 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.5 179.18 3.73 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.245 2.63 . . . . 0.0 113.124 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 N--CA 1.455 -0.212 0 C-N-CA 124.019 0.927 . . . . 0.0 112.579 176.156 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.14 117.99 31.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.445 1.898 . . . . 0.0 108.955 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -111.22 138.89 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.142 1.377 . . . . 0.0 109.892 -169.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . 0.501 HD23 HH21 ' C' ' 44' ' ' ARG . 64.7 mt -136.69 159.23 42.46 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.502 1.521 . . . . 0.0 111.758 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.76 111.19 18.77 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 166.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.91 148.05 42.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.975 0.51 . . . . 0.0 110.277 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.86 159.54 23.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.158 0.583 . . . . 0.0 110.285 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -55.76 134.37 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.877 0.471 . . . . 0.0 111.205 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -1.57 78.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.097 0.856 . . . . 0.0 114.299 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.97 171.92 8.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.817 1.309 . . . . 0.0 112.01 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -129.5 156.04 44.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.0 160.24 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 127.458 2.303 . . . . 0.0 108.6 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -139.87 151.19 45.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.919 0.887 . . . . 0.0 112.786 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.31 139.13 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.096 1.358 . . . . 0.0 109.1 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.67 -139.12 48.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.52 8.71 10.75 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.837 0.855 . . . . 0.0 111.721 170.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -131.66 -12.53 3.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.25 138.27 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 118.723 0.692 . . . . 0.0 110.728 -172.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -122.46 145.96 47.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.441 1.096 . . . . 0.0 109.669 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -128.49 138.83 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.327 1.451 . . . . 0.0 107.862 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -134.69 128.99 34.08 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -85.76 110.46 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -84.8 -28.42 26.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.343 0.657 . . . . 0.0 110.713 -171.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -172.66 38.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.416 0.531 . . . . 0.0 112.826 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.99 160.71 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.627 0.771 . . . . 0.0 111.328 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -143.63 75.77 1.49 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.946 0.899 . . . . 0.0 110.191 171.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -115.22 4.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.477 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mp0 -91.63 -4.45 55.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.269 0.628 . . . . 0.0 110.091 170.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -77.2 156.52 31.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.427 0.632 . . . . 0.0 112.581 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.51 123.39 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.077 1.351 . . . . 0.0 107.566 169.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.91 119.94 34.29 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.453 1.101 . . . . 0.0 108.452 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.51 131.57 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 111.259 -167.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.94 142.15 16.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.389 0.995 . . . . 0.0 111.367 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.74 138.57 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -138.06 89.94 2.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.83 155.18 63.9 Favored Pre-proline 0 N--CA 1.45 -0.446 0 C-N-CA 124.768 1.227 . . . . 0.0 109.645 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.31 150.12 86.28 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.052 1.835 . . . . 0.0 110.535 169.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.45 -0.97 5.58 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 175.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.59 -23.07 66.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.848 1.259 . . . . 0.0 111.576 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.43 157.65 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.164 0.986 . . . . 0.0 110.531 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.72 157.01 16.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.76 123.12 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.879 0.471 . . . . 0.0 109.921 168.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -147.54 163.01 37.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.673 0.789 . . . . 0.0 111.212 174.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -60.46 157.22 14.46 Favored 'General case' 0 C--O 1.227 -0.131 0 O-C-N 121.923 -0.485 . . . . 0.0 110.178 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.46 -33.62 68.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.077 0.399 . . . . 0.0 110.98 169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -57.79 -54.51 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.128 1.371 . . . . 0.0 111.806 171.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.23 -39.39 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.901 0.88 . . . . 0.0 110.312 -174.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -53.08 -39.21 63.17 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.351 1.46 . . . . 0.0 112.116 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.77 -25.45 64.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.44 1.096 . . . . 0.0 112.656 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.18 -41.92 63.31 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.169 0.587 . . . . 0.0 110.471 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.5 mp -71.03 -18.89 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.379 1.472 . . . . 0.0 109.76 177.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -92.06 -2.6 56.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 171.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.05 -47.96 3.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.111 0.964 . . . . 0.0 112.412 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.68 3.93 0.03 OUTLIER Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.136 -0.813 . . . . 0.0 114.539 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 67.62 174.21 0.27 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.983 1.713 . . . . 0.0 111.576 167.172 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -37.76 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 165.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.33 80.01 41.04 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 117.944 0.338 . . . . 0.0 110.502 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -49.81 -36.11 41.55 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 124.614 3.542 . . . . 0.0 114.322 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.084 0.554 . . . . 0.0 111.591 -167.881 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 tt -136.8 120.18 16.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.987 1.315 . . . . 0.0 108.877 171.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.45 136.08 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.818 0.847 . . . . 0.0 109.762 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.25 165.01 22.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.548 1.539 . . . . 0.0 111.138 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 103.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 167.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -113.21 128.01 56.35 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.313 1.445 . . . . 0.0 109.894 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -87.15 164.82 16.17 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 119.402 1.001 . . . . 0.0 112.748 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -58.75 138.53 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.16 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.98 82.96 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 118.985 -0.897 . . . . 0.0 113.922 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -94.48 177.0 6.08 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.927 1.364 . . . . 0.0 112.109 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.3 m -134.28 158.47 43.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -169.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -139.96 158.3 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 126.99 2.116 . . . . 0.0 108.203 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -135.29 149.84 49.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -136.46 137.42 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.812 1.245 . . . . 0.0 108.947 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -138.28 49.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.51 5.2 10.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 111.744 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.4 -6.24 2.59 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.15 135.7 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.96 0.8 . . . . 0.0 110.762 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -126.86 140.77 52.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.442 1.097 . . . . 0.0 109.663 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -120.49 138.08 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.945 1.298 . . . . 0.0 108.328 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -133.27 125.09 28.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.113 0.565 . . . . 0.0 109.814 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.87 103.12 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.34 -29.92 60.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.032 -0.418 . . . . 0.0 111.018 -173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.81 -174.93 34.47 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 123.049 0.357 . . . . 0.0 113.911 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.76 159.56 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.141 0.976 . . . . 0.0 111.926 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.94 89.96 1.65 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.699 1.199 . . . . 0.0 109.356 169.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.45 -102.96 1.34 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.754 -0.591 . . . . 0.0 111.884 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -100.04 -21.47 15.6 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 117.731 0.766 . . . . 0.0 111.71 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -70.29 144.25 51.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.52 116.01 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -89.37 125.16 35.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -135.87 131.62 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.029 0.532 . . . . 0.0 110.493 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.79 141.71 15.77 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 124.394 0.997 . . . . 0.0 111.473 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -133.19 121.01 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 108.749 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -120.76 99.3 6.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.24 0.616 . . . . 0.0 109.39 -172.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.72 155.17 75.16 Favored Pre-proline 0 N--CA 1.451 -0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 110.641 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.38 158.98 42.11 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.998 2.465 . . . . 0.0 112.183 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -72.46 -1.06 14.31 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 171.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.54 -21.79 66.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.235 1.014 . . . . 0.0 111.455 168.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -124.38 159.24 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.55 158.64 15.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.144 177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 125.34 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 122.977 0.511 . . . . 0.0 110.197 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -151.09 169.81 20.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.117 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -69.0 154.93 41.23 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -61.25 -26.72 67.95 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.85 -49.16 74.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.544 1.138 . . . . 0.0 111.548 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.74 -34.53 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.192 0.997 . . . . 0.0 110.141 -171.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.69 -35.6 61.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.562 1.145 . . . . 0.0 112.441 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -66.4 -28.73 68.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -73.51 -23.06 59.97 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.477 0.711 . . . . 0.0 110.957 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 80.7 mt -96.35 -35.27 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.328 1.451 . . . . 0.0 109.898 -172.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -81.17 3.09 24.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.642 0.777 . . . . 0.0 113.053 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.81 54.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.881 0.872 . . . . 0.0 113.331 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 38.72 0.09 OUTLIER Glycine 0 CA--C 1.525 0.676 0 CA-C-O 119.373 -0.682 . . . . 0.0 113.51 169.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.32 -41.59 0.09 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -169.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 45.46 42.54 7.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.863 1.265 . . . . 0.0 112.238 -169.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.05 129.31 4.43 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.106 0.962 . . . . 0.0 109.986 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.58 143.88 87.04 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.081 2.52 . . . . 0.0 113.352 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.53 0.192 0 C-N-CA 125.823 1.649 . . . . 0.0 113.753 171.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mt -94.52 149.06 21.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.916 -0.49 . . . . 0.0 111.641 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.73 134.42 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 168.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -129.05 160.43 32.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.895 1.278 . . . . 0.0 109.507 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.15 97.76 4.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.6 160.99 20.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.099 0.56 . . . . 0.0 111.094 172.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -106.29 175.91 5.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.347 0.659 . . . . 0.0 111.572 -170.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.97 137.5 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.122 0.487 . . . . 0.0 112.221 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.56 83.91 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.145 0.879 . . . . 0.0 115.086 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -83.74 170.26 14.38 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.091 1.445 . . . . 0.0 112.122 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -133.66 153.35 51.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.495 0.718 . . . . 0.0 112.627 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -136.05 157.2 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 126.622 1.969 . . . . 0.0 107.612 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -131.04 150.31 52.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.482 0.713 . . . . 0.0 112.07 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.74 142.67 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.777 1.231 . . . . 0.0 109.021 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.84 -139.42 48.6 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -120.57 10.07 11.0 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.278 1.031 . . . . 0.0 112.458 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.15 -22.36 1.17 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.0 138.44 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.52 1.054 . . . . 0.0 111.059 -169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -127.6 144.33 51.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 110.653 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -125.84 130.96 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.412 1.485 . . . . 0.0 108.665 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -130.23 129.71 43.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.485 0.714 . . . . 0.0 110.209 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -87.27 113.0 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.59 -32.06 32.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.741 0.416 . . . . 0.0 110.385 -176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.12 -175.31 34.61 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.193 0.425 . . . . 0.0 113.544 168.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.12 153.88 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.02 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -142.35 90.02 2.21 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.124 1.37 . . . . 0.0 109.012 169.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -102.98 1.14 Allowed Glycine 0 CA--C 1.525 0.686 0 O-C-N 121.845 -0.534 . . . . 0.0 111.93 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.91 -22.41 16.34 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.645 0.723 . . . . 0.0 111.963 170.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -71.82 141.07 49.65 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.071 0.463 . . . . 0.0 110.087 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -131.21 113.75 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -87.02 123.85 32.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.77 135.41 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.868 0.867 . . . . 0.0 109.994 -168.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.12 137.38 13.66 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.975 0.797 . . . . 0.0 111.122 170.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -124.93 138.22 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 109.098 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -132.7 106.06 7.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.392 0.677 . . . . 0.0 109.653 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.81 158.05 73.57 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.33 162.32 36.8 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.017 2.478 . . . . 0.0 112.19 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.88 -12.46 60.7 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.589 0.756 . . . . 0.0 112.759 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -65.19 -20.5 66.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.929 1.292 . . . . 0.0 112.602 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -127.75 163.06 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.761 0.824 . . . . 0.0 111.108 -176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.83 162.07 13.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.358 0.663 . . . . 0.0 111.279 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 127.73 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.472 0.709 . . . . 0.0 109.864 171.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -154.97 171.3 19.94 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 109.961 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 161.67 27.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.75 -0.594 . . . . 0.0 109.921 168.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.47 -25.77 68.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -42.5 79.68 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 0.0 111.734 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -89.97 -31.26 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.985 0.914 . . . . 0.0 109.967 -173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -52.65 -33.27 46.18 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.744 0.818 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -56.65 -21.82 30.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.978 1.711 . . . . 0.0 113.25 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.92 -44.71 17.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.128 0.571 . . . . 0.0 111.554 172.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.01 -63.07 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 C-N-CA 125.824 1.65 . . . . 0.0 113.772 -167.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 1.63 5.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.812 0.845 . . . . 0.0 112.406 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.03 -16.36 60.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.103 0.561 . . . . 0.0 111.918 169.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.87 0.24 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 123.732 0.682 . . . . 0.0 113.768 169.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.94 177.31 11.29 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 118.116 0.958 . . . . 0.0 111.64 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -132.25 -0.12 3.7 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.79 120.55 12.2 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.806 0.842 . . . . 0.0 110.071 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -62.61 172.67 4.29 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.987 2.458 . . . . 0.0 114.567 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t0 . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 124.638 1.175 . . . . 0.0 111.881 171.348 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.411 3.211 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.456 3.256 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.346 4.146 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.8 3.6 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.331 3.146 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C5'-C4'-C3' 109.885 -3.744 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.338 4.138 OUTLIER-EPSILON 0.014 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 P-O3'-C3' 126.213 5.427 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O5'-C5'-C4' 113.284 2.203 . 0.032 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 104.819 3.688 . 0.087 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.412 3.212 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.517 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C5'-C4'-C3' 111.322 -2.785 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 108.391 -4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.936 -2.764 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.778 3.578 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 O4'-C1'-N19 111.057 2.857 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.665 4.465 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 111.09 -2.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 O4'-C1'-N19 113.628 5.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.436 4.236 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.362 4.162 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C5'-C4'-O4' 112.566 2.404 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 1 O4'-C1'-N19 112.59 4.39 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 O4'-C1'-N19 112.322 4.122 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 N19-C1'-C2' 108.918 -2.801 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 O4'-C1'-N19 111.188 2.988 . 0.575 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 111.723 -2.518 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 112.285 -2.144 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . 0.427 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-C3' 111.636 -2.576 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 0 O4'-C1'-N19 111.076 2.876 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.427 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C4'-C3'-C2' 99.871 -2.829 . 0.017 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.295 3.095 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.351 4.151 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 C4'-C3'-C2' 99.3 -3.4 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.142 2.942 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.231 4.031 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 C5'-C4'-C3' 110.843 -3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.035 -3.643 . 0.146 2u . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 O5'-C5'-C4' 113.994 2.71 . 0.342 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 112.564 4.364 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 1 C5'-C4'-C3' 108.98 -4.346 . 0.046 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 112.727 4.527 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 1 O4'-C1'-N19 112.617 4.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 O4'-C1'-N19 111.384 3.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.222 4.022 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 O4'-C1'-N19 111.405 3.205 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 O4'-C1'-N19 112.267 4.067 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.474 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C3'-C2'-C1' 104.698 3.553 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.474 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C4'-C3'-C2' 99.393 -3.307 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.333 3.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C5'-C4'-C3' 111.19 -2.873 . 0.459 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 1 O5'-C5'-C4' 117.306 5.076 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 112.034 -2.311 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 112.121 3.921 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 100.262 -2.438 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 110.909 2.709 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 1 O4'-C1'-N19 113.069 4.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 113.954 5.754 . 0.416 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.247 4.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 O4'-C1'-N19 111.623 3.423 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 111.831 3.631 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 O4'-C1'-N19 111.626 3.426 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 109.983 -3.678 . 0.502 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 C4'-C3'-C2' 99.362 -3.338 . 0.05 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 C5'-C4'-C3' 110.879 -3.081 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 2 C3'-C2'-C1' 97.45 -4.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C4'-C3'-C2' 99.99 -2.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 C5'-C4'-C3' 111.362 -2.758 . 0.923 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.016 3.816 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 O4'-C1'-N19 111.321 3.121 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 114.094 5.894 . 0.446 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 ttp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 111.6 23.53 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.607 0.639 . . . . 0.0 109.534 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.65 134.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.367 0.667 . . . . 0.0 109.222 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.4 mt -133.73 153.61 51.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.45 1.1 . . . . 0.0 109.536 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -119.4 100.89 7.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -96.01 166.15 11.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.075 0.55 . . . . 0.0 110.379 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 159.06 35.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.138 0.575 . . . . 0.0 109.464 169.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -46.33 120.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.414 0.686 . . . . 0.0 111.036 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -14.51 57.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.722 1.153 . . . . 0.0 114.183 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.72 165.46 18.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.333 1.567 . . . . 0.0 112.399 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.7 m -135.7 152.83 51.56 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.0 mm -114.74 155.3 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 125.73 1.612 . . . . 0.0 109.611 169.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.59 137.91 53.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.707 1.203 . . . . 0.0 109.963 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.78 125.97 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.117 0.967 . . . . 0.0 109.336 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.62 -128.94 35.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -129.53 5.0 5.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.848 0.859 . . . . 0.0 112.976 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -121.91 -28.98 4.36 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.38 134.7 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.817 0.735 . . . . 0.0 110.508 -170.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -129.49 141.53 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.762 0.825 . . . . 0.0 109.903 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -123.4 141.55 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.957 1.303 . . . . 0.0 108.279 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -137.46 136.68 37.99 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.22 100.8 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -26.33 58.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.792 -0.568 . . . . 0.0 111.248 -168.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.64 43.73 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 118.106 0.412 . . . . 0.0 113.646 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.76 151.07 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.801 0.84 . . . . 0.0 111.368 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -139.56 63.12 1.5 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.352 1.061 . . . . 0.0 110.096 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.17 -120.73 5.51 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' B' ' 7' ' ' LYS . 33.0 tt0 -82.12 -11.37 58.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.188 0.595 . . . . 0.0 112.299 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -101.21 149.12 24.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.896 0.855 . . . . 0.0 113.233 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.14 128.03 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 126.625 1.97 . . . . 0.0 108.411 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -94.72 101.93 13.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.155 0.982 . . . . 0.0 109.416 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -108.02 136.74 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.097 0.959 . . . . 0.0 109.475 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.53 138.01 14.55 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.039 0.828 . . . . 0.0 111.677 170.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.42 135.21 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.034 1.334 . . . . 0.0 108.598 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -126.54 75.04 1.51 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 122.131 0.967 . . . . 0.0 109.675 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.34 154.15 38.53 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.154 -1.384 . . . . 0.0 110.765 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.06 154.91 52.72 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.665 2.243 . . . . 0.0 110.439 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -68.82 -3.91 14.22 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.34 -25.45 65.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.871 0.868 . . . . 0.0 111.952 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -116.37 144.08 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.828 0.823 . . . . 0.0 111.587 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.09 143.03 34.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.925 0.89 . . . . 0.0 110.748 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.97 126.21 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 170.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -150.99 157.16 42.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.684 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' B' ' 12' ' ' ILE . 12.6 ptp180 -74.14 162.53 28.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.598 0.359 . . . . 0.0 111.517 169.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -73.27 -25.52 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 O-C-N 122.006 -0.434 . . . . 0.0 112.057 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.8 -19.97 64.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.837 1.255 . . . . 0.0 112.751 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -120.58 -26.33 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.386 1.074 . . . . 0.0 110.968 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 . . . . . 0 N--CA 1.451 -0.376 0 O-C-N 121.25 -0.906 . . . . 0.0 110.792 -176.42 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -129.16 115.24 17.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.461 1.505 . . . . 0.0 108.213 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.06 138.55 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.86 0.864 . . . . 0.0 111.389 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -141.72 146.13 35.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.831 1.253 . . . . 0.0 111.066 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -91.51 129.18 37.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 166.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.427 ' HD2' HD11 ' B' ' 12' ' ' ILE . 11.5 mmp_? -122.85 127.67 49.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.396 0.679 . . . . 0.0 110.029 170.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 28' ' ' GLN . 26.8 mttt -77.33 153.45 33.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.97 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 28.1 m -57.26 129.84 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.491 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.57 -8.92 64.31 Favored Glycine 0 CA--C 1.527 0.781 0 CA-C-O 119.057 -0.857 . . . . 0.0 114.868 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -88.48 165.2 15.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.126 1.463 . . . . 0.0 111.771 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.38 156.95 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 44' ' ' ARG . 34.5 mm -135.81 152.21 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 127.157 2.183 . . . . 0.0 108.514 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.39 141.93 49.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.529 1.132 . . . . 0.0 110.64 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.29 128.67 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.132 0.973 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.99 -134.05 52.5 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.74 4.98 6.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.744 0.818 . . . . 0.0 112.731 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -114.73 -21.34 10.24 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.62 136.22 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.94 0.791 . . . . 0.0 111.146 -169.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -131.27 147.9 52.63 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.656 1.182 . . . . 0.0 110.012 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.4 mm -129.19 141.61 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.918 1.687 . . . . 0.0 108.031 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -138.61 128.68 25.47 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.846 0.459 . . . . 0.0 110.241 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.27 113.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -81.47 -32.26 32.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.943 -0.473 . . . . 0.0 111.052 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.12 -178.7 36.96 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 113.345 0.098 . . . . 0.0 113.345 170.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -113.56 155.2 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.235 0.614 . . . . 0.0 111.004 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -139.18 81.0 1.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.941 0.897 . . . . 0.0 108.907 170.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.26 -116.52 4.22 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -102.89 12.62 35.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.594 0.757 . . . . 0.0 110.703 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.02 155.92 17.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.875 0.87 . . . . 0.0 110.669 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -144.1 112.18 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.588 1.155 . . . . 0.0 108.817 -169.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.12 119.31 28.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 0.0 109.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.27 133.19 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.208 1.003 . . . . 0.0 109.924 -169.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.12 138.29 13.85 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.52 133.59 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.748 0.819 . . . . 0.0 109.362 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -133.06 76.87 1.71 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.416 -168.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.18 157.33 64.56 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 113.915 -1.493 . . . . 0.0 109.766 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.32 156.82 38.64 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.135 1.89 . . . . 0.0 111.199 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -68.72 -0.82 5.77 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.825 0.85 . . . . 0.0 112.237 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.79 -26.76 67.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.151 1.38 . . . . 0.0 111.284 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.45 144.07 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.461 1.105 . . . . 0.0 110.169 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.22 142.05 28.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.542 0.687 . . . . 0.0 111.182 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.71 98.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.92 -166.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.75 158.55 43.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.968 -0.457 . . . . 0.0 112.07 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.4 ptt-85 -64.48 156.23 30.28 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.111 0.564 . . . . 0.0 111.209 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -54.94 -41.57 71.21 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.341 0.656 . . . . 0.0 112.684 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.64 -23.11 67.24 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.06 -50.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.113 0.565 . . . . 0.0 110.601 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -47.11 -42.48 19.23 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.54 0.736 . . . . 0.0 110.925 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.46 -12.0 60.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -169.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -88.82 -36.38 16.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 119.516 1.053 . . . . 0.0 112.129 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -64.12 -61.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.196 0.998 . . . . 0.0 112.654 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 2.49 3.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.73 -0.606 . . . . 0.0 112.568 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.34 -19.38 60.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.316 0.646 . . . . 0.0 112.008 170.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.24 34.8 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 CA-C-O 119.321 -0.71 . . . . 0.0 114.348 169.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -166.25 -175.93 3.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.158 0.979 . . . . 0.0 112.75 -167.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.668 HG22 ' H ' ' B' ' 57' ' ' ALA . 2.9 m -133.54 -176.8 4.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.604 1.162 . . . . 0.0 109.139 169.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.668 ' H ' HG22 ' B' ' 56' ' ' THR . . . -39.52 123.91 1.43 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.069 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -41.26 -44.15 5.52 Favored 'Trans proline' 0 N--CA 1.452 -0.932 1 C-N-CA 126.025 4.484 . . . . 0.0 117.858 -168.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -167.216 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 109.93 20.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 166.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.07 134.96 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.655 0.782 . . . . 0.0 109.796 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.54 134.89 50.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.074 0.95 . . . . 0.0 109.263 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -89.28 143.84 26.54 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 169.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -145.97 123.89 12.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -73.56 149.94 41.81 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -56.37 136.72 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 118.84 0.746 . . . . 0.0 111.444 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -6.73 82.67 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.519 1.057 . . . . 0.0 114.411 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -87.37 172.43 9.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.222 1.511 . . . . 0.0 111.898 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -129.06 159.64 35.3 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -168.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.23 159.65 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 127.482 2.313 . . . . 0.0 108.245 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -132.56 149.15 52.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.044 0.938 . . . . 0.0 112.17 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.53 136.67 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.703 1.201 . . . . 0.0 108.963 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.58 -139.85 44.36 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.656 0.646 . . . . 0.0 111.593 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -121.56 10.0 10.34 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.084 0.953 . . . . 0.0 112.095 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.55 -14.46 7.78 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.92 137.59 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.003 0.82 . . . . 0.0 111.465 -169.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -123.05 138.99 54.53 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.75 1.22 . . . . 0.0 109.336 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -118.11 139.55 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.803 1.241 . . . . 0.0 108.359 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -134.03 129.0 35.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.92 -0.488 . . . . 0.0 110.389 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 tp -83.35 120.91 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.33 -39.39 10.06 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -172.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.47 179.69 43.45 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.746 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.36 151.81 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.296 0.639 . . . . 0.0 110.21 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -149.36 96.99 2.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.83 -139.86 24.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -168.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.6 2.05 39.2 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.927 0.491 . . . . 0.0 111.319 167.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 148.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.209 1.004 . . . . 0.0 110.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.32 114.17 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -82.51 112.81 19.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.4 136.44 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.028 1.331 . . . . 0.0 109.61 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.61 138.62 14.5 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 124.344 0.973 . . . . 0.0 111.569 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -126.26 118.88 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 124.359 1.064 . . . . 0.0 108.688 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -119.16 97.78 5.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.984 0.514 . . . . 0.0 110.171 -173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.69 157.19 72.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.465 1.106 . . . . 0.0 110.123 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.32 151.09 84.58 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.669 2.246 . . . . 0.0 111.087 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.18 -0.94 2.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.414 0.685 . . . . 0.0 112.644 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.89 -22.78 66.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.348 1.059 . . . . 0.0 111.424 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.48 147.65 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.229 1.012 . . . . 0.0 110.49 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.6 156.84 19.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.638 0.375 . . . . 0.0 111.364 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 m -138.3 131.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.302 0.641 . . . . 0.0 109.68 171.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -157.0 160.66 39.23 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.026 0.531 . . . . 0.0 112.088 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -70.3 153.2 43.31 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.69 -31.91 72.89 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.997 0.817 . . . . 0.0 111.738 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.08 -22.32 63.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.06 -35.6 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.566 0.746 . . . . 0.0 110.451 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.77 -32.79 60.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.994 0.918 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.87 -25.3 68.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -69.45 -37.66 77.43 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.233 0.613 . . . . 0.0 111.311 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.454 -0.257 0 O-C-N 122.11 -0.369 . . . . 0.0 110.045 178.584 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.61 112.19 20.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.865 1.666 . . . . 0.0 107.863 168.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -100.2 140.93 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.621 1.168 . . . . 0.0 109.746 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -155.48 156.61 35.56 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.862 0.865 . . . . 0.0 110.984 172.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.3 145.57 24.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.437 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.2 OUTLIER -136.24 144.24 44.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.69 0.796 . . . . 0.0 109.139 167.748 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -80.91 158.71 25.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -61.0 133.39 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.245 0.545 . . . . 0.0 111.254 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.25 -0.97 81.99 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.988 0.804 . . . . 0.0 113.739 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.66 167.62 12.77 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.6 1.2 . . . . 0.0 112.093 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -122.18 161.83 22.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -168.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.437 HD11 ' HG3' ' D' ' 6' ' ' ARG . 73.9 mt -150.28 162.0 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 128.109 2.563 . . . . 0.0 108.075 -168.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -143.09 152.98 42.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.935 0.894 . . . . 0.0 112.567 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -134.94 140.57 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.787 1.235 . . . . 0.0 109.196 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.61 50.2 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -126.16 9.97 7.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.116 0.966 . . . . 0.0 111.565 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -135.22 -13.33 2.09 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.29 137.23 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 118.753 0.706 . . . . 0.0 110.416 -171.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 49.5 m -117.58 145.12 44.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.189 0.996 . . . . 0.0 109.409 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -128.75 144.25 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.87 1.268 . . . . 0.0 107.75 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -137.73 138.96 39.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ILE . . . . . 0.407 HD11 HG13 ' D' ' 30' ' ' VAL . 0.0 OUTLIER -95.26 105.59 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 169.809 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 mt -78.96 -33.57 45.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.463 -0.773 . . . . 0.0 111.203 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.31 -175.08 44.36 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 118.065 0.393 . . . . 0.0 113.058 169.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.7 158.18 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.163 0.585 . . . . 0.0 111.238 169.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -144.12 79.93 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.091 0.956 . . . . 0.0 109.478 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -116.9 4.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mt-30 -90.59 -8.45 50.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.612 0.765 . . . . 0.0 110.604 172.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -79.81 159.36 26.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.671 0.748 . . . . 0.0 112.356 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.407 HG13 HD11 ' D' ' 22' ' ' ILE . 16.5 t -133.92 125.27 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 125.303 1.441 . . . . 0.0 108.487 169.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -79.61 114.49 18.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.47 125.03 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.48 134.11 11.62 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.14 140.42 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.828 0.851 . . . . 0.0 108.923 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -138.05 89.94 2.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.356 0.663 . . . . 0.0 109.239 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.13 67.16 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.463 1.105 . . . . 0.0 109.396 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.32 150.52 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 121.805 1.67 . . . . 0.0 110.274 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -64.5 -0.99 1.53 Allowed 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.43 0.692 . . . . 0.0 112.374 169.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.84 -24.57 66.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.102 1.361 . . . . 0.0 111.248 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.58 159.3 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.456 1.103 . . . . 0.0 110.67 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.13 157.04 16.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 112.255 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.18 125.0 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 168.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -148.76 165.86 30.17 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.212 0.605 . . . . 0.0 111.469 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.3 156.53 28.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.105 0.562 . . . . 0.0 110.158 168.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.74 -38.67 85.93 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.492 0.587 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pm0 -69.03 -19.72 64.11 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mm -92.83 -40.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.93 0.892 . . . . 0.0 111.1 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -46.37 -38.08 8.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.32 1.448 . . . . 0.0 111.894 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.57 -25.45 68.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.586 1.154 . . . . 0.0 113.617 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.25 -48.51 34.26 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 119.132 0.878 . . . . 0.0 109.818 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 122.902 0.481 . . . . 0.0 110.243 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.09 134.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.901 1.28 . . . . 0.0 108.74 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -138.44 164.69 28.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.624 1.169 . . . . 0.0 111.15 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.17 98.24 4.36 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 168.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -105.04 132.34 51.4 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.514 1.526 . . . . 0.0 111.745 -169.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -80.54 157.2 26.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -61.25 136.03 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.292 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.11 -2.75 84.08 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.06 0.838 . . . . 0.0 114.249 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.04 168.18 10.77 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.842 1.321 . . . . 0.0 111.487 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -129.34 159.84 34.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -137.72 158.1 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 126.902 2.081 . . . . 0.0 107.852 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -136.59 148.66 47.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 112.804 -174.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -137.71 137.11 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.658 1.183 . . . . 0.0 109.061 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -137.67 49.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 10.06 7.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.881 0.873 . . . . 0.0 112.46 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -126.89 -12.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.43 136.24 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.153 0.888 . . . . 0.0 111.268 -169.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -126.27 141.23 52.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.706 1.203 . . . . 0.0 109.809 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -120.47 142.03 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.236 1.415 . . . . 0.0 108.06 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.0 m -137.98 127.85 25.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.709 0.404 . . . . 0.0 109.946 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.26 106.45 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.75 -31.87 59.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 110.605 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.2 -177.56 34.0 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 122.961 0.315 . . . . 0.0 113.557 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.44 155.87 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.737 0.815 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.27 89.97 1.77 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.493 1.117 . . . . 0.0 109.333 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.71 -112.13 4.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.29 -22.93 20.31 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.511 0.655 . . . . 0.0 111.611 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.66 146.53 44.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.387 0.613 . . . . 0.0 110.113 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.39 117.21 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -88.04 124.35 33.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.45 127.63 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.778 0.831 . . . . 0.0 110.323 -168.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.6 140.18 15.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.137 0.875 . . . . 0.0 111.497 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.82 119.15 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.025 1.33 . . . . 0.0 108.721 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -122.24 99.0 6.19 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.08 0.552 . . . . 0.0 109.595 -171.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.56 155.76 73.49 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.435 1.094 . . . . 0.0 110.445 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.97 159.46 33.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -68.47 -0.97 5.6 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 123.483 0.713 . . . . 0.0 112.675 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.83 -24.47 67.56 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.883 1.273 . . . . 0.0 111.565 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.3 153.51 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.318 1.047 . . . . 0.0 110.509 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.92 157.46 18.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.79 128.85 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 122.753 0.421 . . . . 0.0 110.293 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -148.13 167.87 23.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.765 1.226 . . . . 0.0 109.051 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -72.44 159.19 34.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.263 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.81 -18.92 65.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.048 0.539 . . . . 0.0 111.948 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.69 -51.22 68.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.948 0.899 . . . . 0.0 112.113 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -75.31 -35.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.534 0.734 . . . . 0.0 109.796 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 112.149 176.687 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 119.876 -0.107 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.12 151.05 20.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.048 -0.408 . . . . 0.0 111.542 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.85 124.55 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 168.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.09 154.26 26.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.161 1.784 . . . . 0.0 108.996 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 105.76 10.81 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 168.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 128.38 56.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.047 1.339 . . . . 0.0 109.981 -169.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -93.52 164.82 13.03 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.204 0.911 . . . . 0.0 112.624 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -57.9 135.53 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.56 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.3 -4.08 80.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 114.156 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -97.03 169.8 9.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.548 1.174 . . . . 0.0 111.575 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.93 166.71 22.7 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -169.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -145.63 150.47 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 126.939 2.095 . . . . 0.0 108.362 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.84 47.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.39 0.541 . . . . 0.0 112.307 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -135.59 137.18 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.316 1.446 . . . . 0.0 109.033 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.53 -132.77 47.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -122.98 5.29 9.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.786 0.834 . . . . 0.0 112.008 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -141.13 -18.54 0.81 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.93 127.36 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 119.339 0.972 . . . . 0.0 110.268 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -118.34 137.6 52.98 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.587 0.755 . . . . 0.0 110.07 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mm -117.06 143.07 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.041 1.336 . . . . 0.0 108.407 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -137.91 131.41 30.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.464 0.706 . . . . 0.0 109.853 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.59 110.72 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -82.39 -28.28 31.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.396 0.678 . . . . 0.0 110.914 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.18 -176.9 33.47 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 123.73 0.681 . . . . 0.0 112.908 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.56 147.66 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.313 0.645 . . . . 0.0 111.369 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -137.52 89.84 2.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.506 1.122 . . . . 0.0 108.366 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.73 -119.16 11.41 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.1 -17.9 38.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.658 0.783 . . . . 0.0 112.528 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 146.11 29.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.431 0.634 . . . . 0.0 110.175 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.84 123.04 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -87.88 120.91 29.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.08 143.09 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 124.138 0.975 . . . . 0.0 110.162 -168.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 141.75 14.47 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 124.177 0.894 . . . . 0.0 111.865 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.25 131.73 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.866 1.267 . . . . 0.0 109.194 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -127.37 106.42 9.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.09 0.956 . . . . 0.0 109.193 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.7 157.06 77.77 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.796 0.839 . . . . 0.0 111.713 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.49 161.1 39.73 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 123.083 2.522 . . . . 0.0 112.08 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -71.18 -4.29 24.75 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.26 0.624 . . . . 0.0 112.642 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.58 -20.51 63.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.737 1.215 . . . . 0.0 112.512 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.89 164.34 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.671 0.789 . . . . 0.0 111.394 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.52 162.56 13.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.378 0.671 . . . . 0.0 111.444 170.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 127.0 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.342 0.657 . . . . 0.0 110.121 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -153.38 172.12 17.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.275 1.03 . . . . 0.0 110.14 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.42 162.67 27.03 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.725 -0.609 . . . . 0.0 109.809 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -60.58 -29.67 69.33 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.73 -43.15 76.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.165 0.986 . . . . 0.0 111.922 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -90.99 -31.75 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.192 0.997 . . . . 0.0 110.276 -172.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 63.5 t80 . . . . . 0 N--CA 1.453 -0.314 0 C-N-CA 124.376 1.07 . . . . 0.0 112.808 177.498 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 110.58 23.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.491 0.716 . . . . 0.0 109.207 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.09 130.22 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.78 160.26 33.99 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.345 1.058 . . . . 0.0 109.795 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.5 m -123.71 128.91 50.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.6 171.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.775 0.83 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -133.75 157.09 46.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.64 118.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-O 120.531 0.205 . . . . 0.0 110.625 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.97 -5.39 50.25 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.575 1.083 . . . . 0.0 114.838 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -94.85 168.67 10.66 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.045 1.423 . . . . 0.0 112.229 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -139.92 154.29 47.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.62 156.32 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 125.984 1.714 . . . . 0.0 109.438 170.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.21 139.94 52.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.49 1.116 . . . . 0.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.2 mt -133.99 131.74 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.169 0.988 . . . . 0.0 109.494 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.62 -131.77 34.74 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 5.04 4.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.898 0.879 . . . . 0.0 112.912 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -127.2 -24.86 3.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -100.1 138.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 118.759 0.709 . . . . 0.0 110.539 -169.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.66 146.05 45.51 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.7 0.8 . . . . 0.0 109.591 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -127.6 140.76 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.705 1.202 . . . . 0.0 108.304 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -138.21 136.11 36.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.471 0.578 . . . . 0.0 110.36 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -85.53 100.62 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.64 -31.35 63.46 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.155 -0.34 . . . . 0.0 110.128 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.5 -170.69 43.24 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 122.997 0.332 . . . . 0.0 112.938 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.2 158.47 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.561 0.745 . . . . 0.0 111.98 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -140.38 70.1 1.36 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.968 1.307 . . . . 0.0 109.823 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.69 -118.66 5.82 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.35 -6.15 52.23 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.416 0.686 . . . . 0.0 111.609 173.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.95 157.88 16.02 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.926 0.869 . . . . 0.0 112.627 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.0 t -143.09 125.5 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 126.709 2.004 . . . . 0.0 107.939 -169.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -110.24 101.99 10.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.383 0.611 . . . . 0.0 110.622 -172.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -106.63 135.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.563 1.545 . . . . 0.0 109.611 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.28 139.55 14.86 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 123.806 0.717 . . . . 0.0 111.532 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.98 133.98 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.293 1.437 . . . . 0.0 108.156 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -122.06 75.0 1.19 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.6 1.16 . . . . 0.0 109.206 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.35 153.82 42.53 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 125.102 1.361 . . . . 0.0 110.805 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.41 153.9 55.68 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.6 2.2 . . . . 0.0 110.497 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.6 -4.15 14.35 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.09 -25.41 64.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.961 0.904 . . . . 0.0 112.135 169.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.87 144.07 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.727 0.775 . . . . 0.0 111.505 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.47 143.05 29.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.888 0.875 . . . . 0.0 110.707 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.67 128.79 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 122.647 0.379 . . . . 0.0 110.413 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -150.32 -175.9 5.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.696 1.198 . . . . 0.0 109.714 -172.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -129.12 167.46 17.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 171.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.02 -37.58 83.06 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.43 -5.82 35.67 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -119.21 -26.88 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.994 1.318 . . . . 0.0 111.09 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.452 -0.357 0 O-C-N 121.481 -0.762 . . . . 0.0 110.334 -173.643 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -110.46 121.93 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.11 139.8 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 122.804 0.442 . . . . 0.0 111.56 -166.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.1 mt -135.52 135.03 40.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.266 1.027 . . . . 0.0 111.117 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.2 m -94.37 121.54 36.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.84 160.54 24.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.329 1.452 . . . . 0.0 109.028 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -120.23 163.01 18.42 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 119.215 0.916 . . . . 0.0 111.122 167.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -62.66 125.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 121.383 0.611 . . . . 0.0 110.464 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.63 -4.59 58.09 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-O 118.812 -0.994 . . . . 0.0 115.083 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.92 166.38 13.98 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.407 1.603 . . . . 0.0 111.447 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -129.87 153.99 47.75 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.727 0.811 . . . . 0.0 112.324 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 19.4 mt -131.38 154.41 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.539 1.936 . . . . 0.0 109.43 -175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -135.63 139.65 43.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.728 -0.607 . . . . 0.0 111.705 -173.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -133.07 128.23 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.344 1.058 . . . . 0.0 109.505 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -135.12 52.08 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.09 4.9 6.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.793 0.837 . . . . 0.0 112.775 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.78 -21.3 11.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.66 135.26 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.847 0.749 . . . . 0.0 111.283 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -130.21 149.26 51.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.919 1.288 . . . . 0.0 109.652 170.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.49 146.46 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.764 1.625 . . . . 0.0 108.002 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -138.64 132.38 30.84 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.078 -0.389 . . . . 0.0 110.257 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.409 HG22 ' H ' ' B' ' 22' ' ' ILE . 1.1 tp -85.42 96.74 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.63 -31.81 71.22 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.933 -0.479 . . . . 0.0 111.133 -174.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.87 -174.58 37.52 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 113.399 0.12 . . . . 0.0 113.399 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -114.72 152.03 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.246 0.618 . . . . 0.0 110.961 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -132.91 77.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.87 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -115.8 4.09 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.23 16.7 24.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 111.488 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -99.01 159.08 15.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.41 1.084 . . . . 0.0 109.63 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.19 118.6 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.415 1.086 . . . . 0.0 109.498 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.29 123.65 36.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.046 1.338 . . . . 0.0 109.608 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.0 131.06 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.052 0.941 . . . . 0.0 110.324 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.18 138.71 14.18 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.9 131.4 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.842 0.83 . . . . 0.0 109.543 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 74.97 1.6 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.495 -1.229 . . . . 0.0 109.505 -168.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.16 157.15 51.64 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.357 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.33 155.35 41.26 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.732 1.621 . . . . 0.0 109.825 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -0.84 11.2 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.879 0.847 . . . . 0.0 111.136 174.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.71 -25.36 67.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.301 1.84 . . . . 0.0 111.257 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.65 144.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.456 1.102 . . . . 0.0 109.999 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.88 141.63 30.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.663 0.744 . . . . 0.0 111.487 170.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.55 99.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.509 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 156.95 44.44 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.234 0.54 . . . . 0.0 112.335 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -62.53 153.15 32.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.616 0.766 . . . . 0.0 111.011 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -55.26 -40.01 70.46 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.098 0.559 . . . . 0.0 112.421 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -64.97 -17.0 64.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -91.63 -50.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.047 0.939 . . . . 0.0 110.592 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -51.22 -36.25 40.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.299 1.04 . . . . 0.0 111.857 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -70.73 -20.78 62.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -80.59 -39.93 26.68 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.481 1.037 . . . . 0.0 110.33 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.2 mt -63.15 -40.77 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -176.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -80.45 5.0 16.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.73 -20.79 38.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 111.75 169.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.36 45.74 0.07 OUTLIER Glycine 0 C--N 1.339 0.699 0 CA-C-O 119.312 -0.716 . . . . 0.0 114.711 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.05 -176.08 2.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.065 0.933 . . . . 0.0 113.021 -168.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.8 p -126.55 -179.15 4.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.552 1.541 . . . . 0.0 109.23 167.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.44 123.88 2.84 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.37 1.068 . . . . 0.0 112.093 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -65.39 175.86 3.81 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.513 2.142 . . . . 0.0 114.247 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.017 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.07 19.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.465 1.106 . . . . 0.0 108.291 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.88 133.49 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.933 0.893 . . . . 0.0 109.468 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.07 140.54 50.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.292 1.037 . . . . 0.0 110.011 169.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -100.55 140.37 34.91 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.586 0.355 . . . . 0.0 110.842 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.64 140.03 42.47 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.559 0.744 . . . . 0.0 110.75 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.2 tptm -76.51 153.64 35.31 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.33 133.66 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.159 0.89 . . . . 0.0 111.462 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.22 -3.47 79.99 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.723 1.154 . . . . 0.0 114.305 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -88.11 177.24 6.97 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.421 1.61 . . . . 0.0 112.51 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -138.6 158.43 44.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -167.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -139.91 158.74 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 128.006 2.523 . . . . 0.0 108.031 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -131.68 149.92 52.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.164 0.986 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -134.55 136.41 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 108.992 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.65 41.32 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.756 0.694 . . . . 0.0 111.558 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.14 10.05 10.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.274 1.03 . . . . 0.0 111.74 169.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -120.61 -16.17 8.33 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.551 1.14 . . . . 0.0 113.144 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.95 139.22 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 118.965 0.802 . . . . 0.0 111.773 -169.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -125.08 143.05 51.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.893 1.277 . . . . 0.0 109.449 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mm -123.75 140.84 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.182 1.393 . . . . 0.0 108.361 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -136.37 135.88 39.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.796 0.438 . . . . 0.0 110.685 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.06 112.93 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 167.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.8 -37.66 20.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.867 -0.521 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -174.54 43.0 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.112 169.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.03 154.22 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -146.49 100.15 3.31 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.767 1.227 . . . . 0.0 108.997 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.85 -120.02 17.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -170.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.38 1.74 47.23 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.934 0.893 . . . . 0.0 111.823 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 26.4 mt-30 -91.69 156.34 17.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.858 0.837 . . . . 0.0 111.767 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.14 123.85 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.92 1.288 . . . . 0.0 108.389 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -83.13 115.89 22.1 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 169.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.74 122.82 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.062 1.345 . . . . 0.0 109.563 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 138.85 15.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 125.117 1.342 . . . . 0.0 111.712 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.0 mt -132.82 135.02 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.98 92.04 2.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.66 156.19 79.76 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.03 0.932 . . . . 0.0 110.379 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.6 152.75 76.01 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.578 2.185 . . . . 0.0 111.053 170.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.45 -1.19 4.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.91 -19.73 65.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.795 1.238 . . . . 0.0 111.372 168.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.18 149.4 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.072 0.949 . . . . 0.0 110.774 172.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 156.39 20.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.103 0.561 . . . . 0.0 111.419 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.0 131.02 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 110.032 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -157.01 165.03 37.29 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.482 0.713 . . . . 0.0 111.701 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -77.64 160.69 28.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 166.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.34 -28.79 70.0 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.236 0.615 . . . . 0.0 112.003 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.17 -45.84 83.32 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.042 0.937 . . . . 0.0 111.305 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -90.88 -29.24 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.74 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.637 ' HA ' HD13 ' C' ' 51' ' ' ILE . 40.3 t80 -48.83 -38.99 23.82 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.302 0.641 . . . . 0.0 111.73 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -52.67 -20.84 3.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 126.623 1.969 . . . . 0.0 114.172 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -87.22 -38.49 16.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp . . . . . 0 N--CA 1.463 0.201 0 C-N-CA 125.44 1.496 . . . . 0.0 112.72 -168.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -122.62 114.84 21.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.45 1.5 . . . . 0.0 107.325 166.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.16 124.81 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.812 1.245 . . . . 0.0 108.662 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -112.42 169.17 9.06 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.419 1.088 . . . . 0.0 110.339 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -136.61 109.89 7.84 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.918 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -126.79 149.05 49.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.763 0.825 . . . . 0.0 111.081 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 15.1 mmtp -75.78 160.96 29.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 111.657 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.82 139.67 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.15 0.58 . . . . 0.0 111.622 169.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.64 -3.78 86.67 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.421 1.01 . . . . 0.0 113.798 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -87.79 169.8 11.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.979 1.389 . . . . 0.0 112.809 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -128.05 154.47 45.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.938 0.895 . . . . 0.0 112.349 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -146.26 158.94 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 127.234 2.214 . . . . 0.0 108.263 -170.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -137.99 152.32 48.78 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.298 -0.876 . . . . 0.0 112.747 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.83 138.02 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.985 1.314 . . . . 0.0 108.962 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -135.17 51.95 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.39 10.02 5.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.103 0.961 . . . . 0.0 112.422 172.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -125.15 -14.83 6.46 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.94 138.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 118.903 0.774 . . . . 0.0 111.027 -169.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -122.96 146.81 47.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.529 1.132 . . . . 0.0 109.769 174.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.04 141.67 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.59 1.556 . . . . 0.0 107.949 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -139.46 131.14 27.33 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -88.25 109.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -83.14 -28.55 29.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.366 0.666 . . . . 0.0 110.7 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.48 -174.06 38.82 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 122.662 0.172 . . . . 0.0 112.816 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.04 160.24 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 122.891 0.476 . . . . 0.0 110.888 169.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.1 m -146.68 76.32 1.43 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.646 1.178 . . . . 0.0 108.916 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -120.14 5.88 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.473 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.1 mp0 -89.38 -11.66 42.58 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 110.915 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.07 151.22 28.45 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.638 0.732 . . . . 0.0 111.221 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.64 128.9 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.941 1.297 . . . . 0.0 107.568 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -96.83 115.25 27.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.032 0.933 . . . . 0.0 108.89 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.78 124.49 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.432 0.693 . . . . 0.0 110.335 -168.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.84 141.14 15.9 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.821 1.201 . . . . 0.0 110.922 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -134.44 135.51 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -138.04 89.93 2.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -171.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.98 155.82 54.99 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.636 1.174 . . . . 0.0 109.524 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.54 150.28 86.02 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.032 1.821 . . . . 0.0 110.524 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.67 -1.12 6.21 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.68 -23.19 66.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.903 1.281 . . . . 0.0 111.54 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -124.07 160.0 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.263 1.025 . . . . 0.0 110.716 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.09 16.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.28 0.632 . . . . 0.0 112.336 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.69 127.44 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 O-C-N 121.928 -0.483 . . . . 0.0 110.216 168.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.08 166.58 30.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.81 . . . . 0.0 111.541 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.77 156.67 19.8 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.33 -36.93 79.08 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.656 -0.652 . . . . 0.0 111.507 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.85 -21.51 66.02 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.11 -38.23 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.253 1.021 . . . . 0.0 111.102 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -47.29 -38.38 12.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.157 1.383 . . . . 0.0 111.849 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.81 -24.93 67.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.632 1.173 . . . . 0.0 113.506 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.51 -48.05 36.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 119.181 0.901 . . . . 0.0 109.694 172.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.452 -0.332 0 C-N-CA 122.964 0.505 . . . . 0.0 110.354 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.91 139.2 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.162 0.985 . . . . 0.0 109.254 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.53 164.52 27.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.379 1.472 . . . . 0.0 110.684 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -125.81 99.05 5.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 130.44 53.09 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.86 1.264 . . . . 0.0 110.944 -170.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.83 159.21 18.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.155 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.06 136.06 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.688 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.75 -2.98 80.92 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.117 0.865 . . . . 0.0 114.341 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -97.38 173.74 7.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.641 1.221 . . . . 0.0 111.543 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -134.18 158.73 42.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -133.07 155.2 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 126.73 2.012 . . . . 0.0 107.688 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.94 144.63 43.53 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.505 -0.747 . . . . 0.0 111.805 -169.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 54.0 mt -137.15 136.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.399 1.08 . . . . 0.0 109.417 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.39 -136.89 50.64 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -126.83 10.0 7.01 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.931 0.892 . . . . 0.0 112.445 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -128.28 -12.76 5.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 134.62 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 119.186 0.903 . . . . 0.0 111.009 -170.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 58.2 m -131.42 144.15 50.98 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.328 1.051 . . . . 0.0 110.275 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -120.77 142.99 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.898 1.679 . . . . 0.0 107.838 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -136.05 125.91 25.77 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.902 0.481 . . . . 0.0 109.992 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -78.86 106.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.91 -30.16 56.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.972 -0.455 . . . . 0.0 110.911 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 -174.52 34.9 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.017 0.342 . . . . 0.0 113.667 170.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.13 157.64 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 C-N-CA 123.622 0.769 . . . . 0.0 112.27 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -150.05 91.0 1.73 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.24 -112.67 4.29 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 121.681 -0.637 . . . . 0.0 111.719 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -92.24 -18.0 24.03 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.745 0.773 . . . . 0.0 111.448 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -74.8 144.58 43.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.644 0.735 . . . . 0.0 110.091 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -141.12 110.66 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -87.5 125.97 34.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.98 133.15 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.157 0.583 . . . . 0.0 110.509 -168.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 145.32 17.68 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.568 1.08 . . . . 0.0 111.702 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.84 124.92 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.864 1.266 . . . . 0.0 108.926 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -124.51 100.09 6.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.385 0.674 . . . . 0.0 109.424 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.64 155.24 71.65 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -63.29 158.77 42.87 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.093 2.529 . . . . 0.0 112.137 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -72.63 -1.03 14.61 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.28 -21.06 66.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.327 1.051 . . . . 0.0 111.396 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -125.57 159.39 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 110.647 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.77 16.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.32 125.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.098 0.559 . . . . 0.0 110.668 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -151.81 166.55 31.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.264 1.026 . . . . 0.0 110.874 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -72.43 155.86 39.67 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -58.91 -29.61 67.18 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.709 0.404 . . . . 0.0 111.8 -172.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.46 -51.6 68.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.439 1.095 . . . . 0.0 111.94 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -74.9 -33.26 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.839 1.256 . . . . 0.0 109.972 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 123.713 0.805 . . . . 0.0 112.138 177.732 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.17 148.33 22.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.948 -0.47 . . . . 0.0 111.651 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.81 135.74 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.817 0.847 . . . . 0.0 109.398 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.27 162.01 29.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.65 1.18 . . . . 0.0 110.02 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 97.96 4.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.513 ' HD3' HD11 ' F' ' 12' ' ' ILE . 5.4 ttp180 -105.06 162.09 13.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.853 1.261 . . . . 0.0 110.82 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -116.83 168.51 10.16 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -53.85 134.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.356 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 -11.61 65.1 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.513 1.054 . . . . 0.0 114.804 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.02 175.65 6.79 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.402 1.601 . . . . 0.0 113.048 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -138.65 156.04 47.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' F' ' 6' ' ' ARG . 40.7 mm -128.76 155.06 40.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 126.557 1.943 . . . . 0.0 108.381 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -121.17 148.65 43.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.669 0.788 . . . . 0.0 112.071 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.58 140.24 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.657 1.183 . . . . 0.0 108.836 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.65 -132.52 51.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.5 1.28 8.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.101 0.961 . . . . 0.0 111.938 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -138.14 -11.22 1.47 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.0 137.22 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.973 0.806 . . . . 0.0 110.511 -174.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -128.66 140.76 51.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.318 1.047 . . . . 0.0 110.044 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -118.3 139.76 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.085 1.354 . . . . 0.0 108.139 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 41.2 m -136.28 136.64 39.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.498 0.719 . . . . 0.0 110.27 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -96.86 106.7 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.07 -34.98 56.95 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.71 0.404 . . . . 0.0 110.072 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.59 -175.41 39.01 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 122.942 0.306 . . . . 0.0 113.301 169.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.12 151.31 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.444 0.698 . . . . 0.0 111.529 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 61.5 m -142.37 89.9 2.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.494 1.118 . . . . 0.0 108.624 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.99 -119.97 20.71 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -83.12 -24.84 32.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.367 0.584 . . . . 0.0 112.238 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -69.63 145.71 52.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.865 0.866 . . . . 0.0 110.85 173.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 t -137.61 119.64 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.75 112.49 18.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.578 0.751 . . . . 0.0 109.277 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.51 134.17 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.735 0.814 . . . . 0.0 110.383 -173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.27 142.46 15.76 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.59 1.09 . . . . 0.0 111.547 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.28 136.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.469 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -127.76 109.47 11.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.097 0.959 . . . . 0.0 108.952 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.44 157.41 77.47 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 123.523 0.729 . . . . 0.0 111.392 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.95 162.86 30.59 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.915 2.41 . . . . 0.0 112.214 172.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.32 -11.21 29.83 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.97 -20.35 66.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.35 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.96 162.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.161 0.984 . . . . 0.0 110.925 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.25 159.64 18.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.945 0.498 . . . . 0.0 111.078 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 124.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.969 0.507 . . . . 0.0 110.339 169.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -154.1 173.36 16.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.915 0.886 . . . . 0.0 111.117 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -80.46 163.68 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 167.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -19.17 65.12 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.27 -44.52 97.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.918 -0.489 . . . . 0.0 110.977 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -85.99 -35.39 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.474 0.71 . . . . 0.0 110.087 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.763 0.825 . . . . 0.0 112.022 177.025 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 110.33 22.91 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.653 0.661 . . . . 0.0 109.441 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.47 134.44 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.593 0.757 . . . . 0.0 109.076 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -131.38 155.25 47.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 109.647 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -116.2 101.04 8.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.99 138.61 45.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.72 0.808 . . . . 0.0 110.474 -169.283 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -105.23 154.29 20.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.432 0.293 . . . . 0.0 110.254 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -50.45 124.78 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.455 0.702 . . . . 0.0 111.072 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.59 -5.03 69.87 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.763 1.173 . . . . 0.0 114.331 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -93.12 169.39 10.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.829 1.315 . . . . 0.0 111.711 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -137.88 148.53 45.46 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HD2' ' A' ' 6' ' ' ARG . 40.0 mm -109.5 153.92 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 125.875 1.67 . . . . 0.0 109.326 169.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -124.67 136.51 53.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.676 1.191 . . . . 0.0 109.57 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -130.93 131.1 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.103 0.961 . . . . 0.0 109.726 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 -127.98 29.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -124.4 -2.27 8.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.809 0.843 . . . . 0.0 112.661 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -135.61 -26.95 1.2 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -92.98 140.42 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.603 0.638 . . . . 0.0 110.302 -171.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -133.24 146.76 51.74 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.63 0.772 . . . . 0.0 109.327 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 mm -127.93 138.53 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.797 1.239 . . . . 0.0 107.983 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -133.97 132.52 40.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.448 0.567 . . . . 0.0 110.408 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.39 102.53 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.92 -29.85 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.981 -0.45 . . . . 0.0 110.11 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -171.07 40.45 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 113.796 0.278 . . . . 0.0 113.796 168.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.76 155.98 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -139.97 60.93 1.54 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.218 1.007 . . . . 0.0 110.721 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.66 -121.05 5.38 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -173.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.4 21.55 3.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.774 0.83 . . . . 0.0 111.812 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -138.87 159.49 42.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.956 0.902 . . . . 0.0 112.27 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 t -128.96 136.41 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 109.437 -167.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.04 103.59 12.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.01 0.924 . . . . 0.0 110.109 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.66 132.8 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.351 1.46 . . . . 0.0 109.289 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.51 139.0 14.55 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.729 0.68 . . . . 0.0 111.619 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -111.29 129.11 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.302 1.441 . . . . 0.0 108.168 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -118.38 74.94 0.98 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.322 1.049 . . . . 0.0 109.323 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.97 152.26 40.25 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.35 152.8 66.49 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.315 2.01 . . . . 0.0 110.181 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -70.39 -1.13 9.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.6 -25.53 63.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.179 0.992 . . . . 0.0 111.632 169.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.01 144.06 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.933 0.873 . . . . 0.0 111.732 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.0 32.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.08 0.952 . . . . 0.0 110.767 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 m -130.81 131.68 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.744 0.417 . . . . 0.0 110.136 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -151.44 -176.04 5.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.555 1.142 . . . . 0.0 110.38 -171.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -125.32 167.1 15.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 172.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -52.24 -53.73 40.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -166.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -76.69 -0.94 25.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.282 0.947 . . . . 0.0 113.19 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 44' ' ' ARG . 2.8 mt -106.5 -26.49 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.205 1.002 . . . . 0.0 110.321 169.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.451 -0.4 0 O-C-N 121.448 -0.783 . . . . 0.0 110.565 -177.679 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.58 122.34 45.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.328 1.451 . . . . 0.0 107.4 168.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.16 140.35 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -165.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -132.98 142.43 48.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.064 1.346 . . . . 0.0 110.453 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -114.17 110.53 20.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -130.87 144.68 51.64 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.094 0.958 . . . . 0.0 111.492 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -78.1 158.77 29.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 m -58.93 135.57 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.666 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.48 71.61 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.111 -0.827 . . . . 0.0 114.738 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -90.3 165.63 13.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.977 1.389 . . . . 0.0 112.112 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -128.8 156.47 43.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.714 0.769 . . . . 0.0 112.685 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -141.8 156.1 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.362 1.865 . . . . 0.0 108.804 -170.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.25 143.97 40.34 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.702 -0.624 . . . . 0.0 112.548 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -135.95 142.7 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 116.855 -1.545 . . . . 0.0 107.109 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 15.94 122.66 0.0 OUTLIER Glycine 0 C--N 1.34 0.779 0 CA-C-O 115.802 -2.665 . . . . 0.0 110.602 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.54 5.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 120.98 3.696 . . . . 0.0 120.98 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.9 m-20 -86.83 -21.35 26.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.677 1.191 . . . . 0.0 112.265 164.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -114.57 142.84 25.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 121.229 1.832 . . . . 0.0 113.229 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -139.39 151.59 46.42 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.898 1.279 . . . . 0.0 109.986 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.08 145.07 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 126.065 1.746 . . . . 0.0 108.583 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.4 m -138.74 130.75 28.1 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.099 0.56 . . . . 0.0 110.119 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 22' ' ' ILE . 2.6 tp -82.54 111.9 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 170.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.19 -31.03 38.81 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.125 -0.359 . . . . 0.0 110.978 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.87 179.69 33.89 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 122.57 0.129 . . . . 0.0 113.306 169.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.34 150.63 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.123 0.569 . . . . 0.0 110.903 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -133.56 78.37 1.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.568 1.147 . . . . 0.0 108.567 170.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.77 -116.7 4.7 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.68 7.28 43.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.283 0.633 . . . . 0.0 110.801 177.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 150.61 21.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.038 0.935 . . . . 0.0 110.034 169.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.14 115.64 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.291 0.636 . . . . 0.0 109.316 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.91 118.19 26.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.08 0.952 . . . . 0.0 109.575 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.96 132.17 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.146 0.978 . . . . 0.0 109.862 -169.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.77 138.15 13.93 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -120.33 132.63 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.838 0.828 . . . . 0.0 108.978 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -130.94 82.73 2.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.661 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.92 156.0 80.54 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.183 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -58.55 155.97 33.96 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.905 1.737 . . . . 0.0 110.808 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -72.54 -0.68 13.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.92 0.488 . . . . 0.0 111.999 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.9 -27.52 68.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.978 1.311 . . . . 0.0 112.068 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.42 144.08 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.706 0.802 . . . . 0.0 110.315 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.13 142.3 27.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.299 0.571 . . . . 0.0 111.504 170.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.14 96.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.855 -166.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.75 159.69 42.82 Favored 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 121.674 -0.641 . . . . 0.0 111.522 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.9 ptt-85 -63.91 156.3 28.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.55 0.214 . . . . 0.0 111.308 169.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.48 -37.17 62.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.429 0.691 . . . . 0.0 112.356 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.46 -47.76 66.27 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.16 0.436 . . . . 0.0 110.988 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.46 -47.32 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.307 1.443 . . . . 0.0 110.037 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.67 -36.22 45.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.113 0.965 . . . . 0.0 111.59 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.41 -21.13 62.03 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -83.91 -37.77 21.94 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.371 0.987 . . . . 0.0 110.683 169.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.93 -41.9 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -79.55 5.1 13.88 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 173.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.61 -20.33 47.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.865 -0.522 . . . . 0.0 111.489 168.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.97 45.18 0.07 OUTLIER Glycine 0 C--N 1.338 0.661 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.546 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -176.09 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.062 0.931 . . . . 0.0 113.061 -168.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -125.24 178.74 5.41 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.568 1.547 . . . . 0.0 109.093 167.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.32 123.2 1.35 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 124.623 1.169 . . . . 0.0 112.297 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -66.84 -177.07 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.974 2.449 . . . . 0.0 113.566 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 124.013 0.925 . . . . 0.0 112.48 171.521 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 112.02 23.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 166.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.35 136.73 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.897 0.879 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.016 0.926 . . . . 0.0 109.595 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.55 144.51 25.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.436 ' NH1' HD12 ' C' ' 12' ' ' ILE . 2.0 ttp-105 -146.06 157.97 43.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.2 tptm -91.82 153.58 19.48 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.27 1.028 . . . . 0.0 109.546 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.84 135.57 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 118.33 0.514 . . . . 0.0 111.74 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 -6.16 68.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.894 1.235 . . . . 0.0 114.698 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -92.12 176.05 6.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.318 1.559 . . . . 0.0 113.057 -173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -129.63 152.08 49.54 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.436 HD12 ' NH1' ' C' ' 6' ' ' ARG . 23.2 mt -134.22 152.95 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 126.916 2.087 . . . . 0.0 108.676 173.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.55 145.91 44.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.014 0.925 . . . . 0.0 111.25 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -130.98 129.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.565 1.146 . . . . 0.0 108.597 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.68 -138.81 47.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -117.64 4.84 12.33 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.851 1.26 . . . . 0.0 111.078 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.7 -17.23 5.99 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -169.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.62 140.11 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.967 0.803 . . . . 0.0 110.874 -170.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -129.27 140.66 51.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 109.719 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -117.49 135.46 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 108.836 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -127.36 129.73 48.13 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.331 0.653 . . . . 0.0 110.047 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -88.86 117.06 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.61 -38.5 12.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.139 -0.351 . . . . 0.0 110.375 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.67 -178.58 42.59 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 113.809 0.283 . . . . 0.0 113.809 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.45 154.23 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.644 0.777 . . . . 0.0 110.467 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -151.45 106.27 3.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 108.607 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.7 -133.63 25.37 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.27 1.77 56.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.852 0.861 . . . . 0.0 111.993 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.85 151.72 21.62 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.989 0.915 . . . . 0.0 110.458 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.0 118.97 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 124.122 0.969 . . . . 0.0 108.664 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -77.98 112.12 14.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.473 0.579 . . . . 0.0 109.627 171.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.78 127.16 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.841 1.256 . . . . 0.0 109.658 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.89 139.22 14.36 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.298 0.951 . . . . 0.0 111.971 173.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.13 118.58 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.583 1.153 . . . . 0.0 108.498 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -116.39 92.05 3.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.089 0.556 . . . . 0.0 110.115 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.5 157.79 71.83 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.397 1.079 . . . . 0.0 110.067 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.39 153.89 71.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.622 2.215 . . . . 0.0 111.179 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.72 -1.01 3.31 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 123.293 0.637 . . . . 0.0 112.474 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -22.22 66.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.241 1.016 . . . . 0.0 111.334 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.02 148.93 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.42 156.99 19.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.711 0.404 . . . . 0.0 111.349 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -137.51 134.7 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.341 0.656 . . . . 0.0 109.231 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -155.57 160.8 40.79 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.684 0.675 . . . . 0.0 112.703 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -67.14 146.05 54.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 165.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.67 -31.74 70.97 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.812 0.733 . . . . 0.0 111.98 -173.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -54.59 -44.51 73.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.765 0.826 . . . . 0.0 111.528 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -85.2 -31.77 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.497 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.402 ' HA ' HG12 ' C' ' 51' ' ' ILE . 61.6 t80 -53.91 -37.25 63.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.669 0.788 . . . . 0.0 112.136 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.22 -28.49 70.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.858 -0.526 . . . . 0.0 112.217 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.73 -36.4 70.46 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.517 0.727 . . . . 0.0 111.75 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.9 mm . . . . . 0 N--CA 1.457 -0.114 0 C-N-CA 123.239 0.616 . . . . 0.0 110.276 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.469 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.0 tpp . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.28 115.53 28.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.26 1.424 . . . . 0.0 107.812 167.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.469 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -100.22 124.28 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.863 1.265 . . . . 0.0 108.592 -178.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -109.54 168.13 9.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.909 0.884 . . . . 0.0 109.158 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -125.53 109.83 13.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 168.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -113.55 131.26 56.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.829 -0.545 . . . . 0.0 111.239 -167.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -72.95 152.27 41.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.209 0.528 . . . . 0.0 110.547 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.36 137.97 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.454 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.45 -5.23 85.05 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.298 0.951 . . . . 0.0 114.073 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -85.51 170.91 12.18 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.09 1.445 . . . . 0.0 112.186 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -131.03 163.1 28.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.941 0.897 . . . . 0.0 112.295 -170.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mt -150.32 160.12 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.552 2.341 . . . . 0.0 108.207 -168.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -137.78 152.96 49.7 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 0.0 112.343 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -133.28 138.31 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.9 1.28 . . . . 0.0 108.947 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.51 -135.35 51.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.98 10.02 6.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.014 0.926 . . . . 0.0 112.648 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -129.39 -14.18 4.27 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.54 137.95 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 119.082 0.856 . . . . 0.0 110.98 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 41.6 m -120.03 146.75 45.59 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.641 1.176 . . . . 0.0 109.696 172.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.23 142.72 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.412 1.485 . . . . 0.0 108.006 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.53 130.74 28.54 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -87.9 101.15 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 54.6 mt -75.61 -29.66 59.29 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.205 0.602 . . . . 0.0 111.154 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.26 -172.08 39.14 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 122.969 0.319 . . . . 0.0 112.575 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -111.6 164.82 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 C-N-CA 123.162 0.585 . . . . 0.0 111.07 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -151.74 80.16 1.27 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.089 0.955 . . . . 0.0 109.747 169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.09 -121.79 5.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.474 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -87.6 -11.23 49.18 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.427 0.691 . . . . 0.0 110.69 170.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.86 154.83 28.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.053 0.93 . . . . 0.0 111.927 171.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.01 129.65 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.774 1.63 . . . . 0.0 107.329 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -96.36 115.21 27.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.914 0.886 . . . . 0.0 108.654 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -124.8 129.8 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.121 0.568 . . . . 0.0 110.164 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.58 136.83 12.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.075 0.845 . . . . 0.0 111.156 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.48 141.23 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.06 0.944 . . . . 0.0 108.565 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -138.12 89.99 2.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.29 0.636 . . . . 0.0 109.414 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.77 157.07 60.9 Favored Pre-proline 0 N--CA 1.452 -0.373 0 C-N-CA 124.691 1.197 . . . . 0.0 109.88 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.28 150.79 87.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.136 1.891 . . . . 0.0 110.532 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.4 -2.11 7.87 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.08 -23.36 66.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.82 1.248 . . . . 0.0 111.789 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.98 160.03 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.18 0.992 . . . . 0.0 110.961 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.77 156.97 16.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.298 0.639 . . . . 0.0 112.505 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.64 118.63 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.127 0.571 . . . . 0.0 109.957 168.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -148.81 162.25 40.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.505 0.722 . . . . 0.0 111.592 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -62.76 155.51 26.44 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.816 0.446 . . . . 0.0 110.654 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.54 -33.28 74.59 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.975 0.51 . . . . 0.0 111.542 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.77 -27.71 68.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.494 0.717 . . . . 0.0 112.675 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -89.46 -37.36 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.86 1.264 . . . . 0.0 110.726 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -53.39 -40.74 65.28 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.121 0.969 . . . . 0.0 111.041 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -64.08 -25.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.509 0.724 . . . . 0.0 112.918 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -77.06 -38.96 51.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.724 0.809 . . . . 0.0 111.222 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 121.142 0.496 . . . . 0.0 109.849 -176.566 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 mm -126.42 116.2 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.267 1.027 . . . . 0.0 108.345 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.12 151.43 38.3 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.771 1.228 . . . . 0.0 110.089 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.34 109.7 11.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 166.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -121.49 162.14 21.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.396 1.478 . . . . 0.0 109.769 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -117.38 167.13 11.53 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.56 133.87 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.022 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.21 67.7 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.353 0.978 . . . . 0.0 114.759 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -90.39 176.48 6.7 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.314 1.557 . . . . 0.0 112.592 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -137.26 156.76 47.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -136.72 152.69 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.502 1.921 . . . . 0.0 107.906 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -124.99 150.72 46.4 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.565 -0.71 . . . . 0.0 112.721 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.69 138.48 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.853 1.261 . . . . 0.0 108.914 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.43 -140.21 47.26 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.01 9.36 11.83 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.907 0.883 . . . . 0.0 111.77 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -136.59 -7.88 1.93 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -169.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.52 136.55 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 119.166 0.894 . . . . 0.0 110.799 -173.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.6 m -126.38 143.49 51.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.349 1.059 . . . . 0.0 110.303 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -120.39 135.4 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.518 1.527 . . . . 0.0 108.213 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 32.9 m -132.7 133.25 43.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.545 0.738 . . . . 0.0 110.264 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -91.65 99.99 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.65 -32.91 68.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.742 -0.599 . . . . 0.0 110.961 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 -178.99 33.43 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.03 0.347 . . . . 0.0 113.42 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.87 157.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.638 0.775 . . . . 0.0 111.8 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -149.95 90.04 1.65 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.631 1.172 . . . . 0.0 109.305 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -106.35 1.95 Allowed Glycine 0 CA--C 1.524 0.619 0 O-C-N 121.874 -0.517 . . . . 0.0 111.853 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.34 -20.81 16.33 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 117.691 0.745 . . . . 0.0 111.896 169.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -72.67 142.56 48.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.8 115.85 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -86.28 126.57 34.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.42 133.01 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.704 0.802 . . . . 0.0 110.165 -168.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.11 140.81 15.06 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.363 0.982 . . . . 0.0 111.507 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -133.14 124.0 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.549 1.139 . . . . 0.0 108.954 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -123.56 99.27 6.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.982 0.513 . . . . 0.0 109.637 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.61 155.4 73.56 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.5 1.12 . . . . 0.0 110.671 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.83 159.47 37.53 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.938 2.425 . . . . 0.0 112.007 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -69.57 -0.84 7.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.4 0.68 . . . . 0.0 112.762 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.0 -22.79 67.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.569 1.148 . . . . 0.0 111.286 169.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.02 155.05 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.34 1.056 . . . . 0.0 110.655 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.08 155.24 19.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.92 126.9 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.927 0.491 . . . . 0.0 110.299 169.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -150.61 169.89 20.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.265 1.026 . . . . 0.0 109.855 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 31.2 ptt-85 -82.08 166.15 19.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.772 -0.58 . . . . 0.0 110.205 169.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.73 -32.61 69.38 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -169.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.47 -44.05 80.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 112.049 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.14 -32.85 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.996 0.919 . . . . 0.0 110.295 -170.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.496 1.119 . . . . 0.0 112.516 177.795 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.12 149.21 21.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.059 -0.401 . . . . 0.0 111.539 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.9 133.36 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -126.8 161.9 27.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.791 1.237 . . . . 0.0 109.821 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.09 97.05 4.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 168.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.9 OUTLIER -108.38 142.64 38.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.244 1.018 . . . . 0.0 110.444 -178.106 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -92.16 170.21 10.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -59.54 139.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.314 0.578 . . . . 0.0 112.032 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -4.14 83.04 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.147 0.879 . . . . 0.0 113.855 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -92.22 172.38 8.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.767 1.283 . . . . 0.0 112.645 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 65.8 m -134.8 152.73 51.99 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.887 0.875 . . . . 0.0 112.445 -171.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 29.4 mt -140.24 156.29 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.033 1.733 . . . . 0.0 108.661 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -137.32 147.7 45.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.408 0.683 . . . . 0.0 112.216 -170.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.72 140.83 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.517 1.127 . . . . 0.0 109.213 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.63 -137.54 49.72 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -121.19 9.99 10.57 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.859 0.864 . . . . 0.0 111.89 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -137.43 -14.47 1.49 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -169.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.48 137.19 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 118.982 0.81 . . . . 0.0 110.521 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -132.88 140.73 48.04 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.282 1.033 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -122.51 143.69 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.574 1.55 . . . . 0.0 108.295 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.25 127.97 31.0 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.341 0.656 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.64 112.22 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' F' ' 31' ' ' ARG . 24.2 mt -85.99 -26.66 25.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.95 0.9 . . . . 0.0 110.937 -173.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.6 -173.8 33.68 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.076 0.37 . . . . 0.0 113.77 169.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.09 158.15 38.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 C-N-CA 123.407 0.683 . . . . 0.0 112.321 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 93.21 1.98 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.514 1.126 . . . . 0.0 109.292 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.58 -102.98 1.45 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.822 -0.549 . . . . 0.0 111.986 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -102.65 -14.93 16.51 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.725 0.762 . . . . 0.0 111.836 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -72.45 145.37 47.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.537 0.684 . . . . 0.0 110.013 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.64 110.4 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ARG . . . . . 0.425 ' HG2' HD12 ' F' ' 23' ' ' LEU . 26.0 ttm180 -87.35 126.9 35.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -134.11 134.77 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.91 . . . . 0.0 110.521 -168.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.2 140.57 15.07 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.64 135.87 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.094 0.957 . . . . 0.0 109.11 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -137.1 109.97 7.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.571 0.748 . . . . 0.0 109.552 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.29 157.2 75.96 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.717 0.807 . . . . 0.0 111.479 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.1 162.15 36.9 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.195 2.596 . . . . 0.0 112.507 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.64 -12.15 59.8 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.699 0.8 . . . . 0.0 112.88 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.91 -20.78 66.63 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.992 1.317 . . . . 0.0 112.575 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -126.29 166.74 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.777 0.831 . . . . 0.0 111.1 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.61 157.8 15.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.173 0.589 . . . . 0.0 111.827 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.97 113.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.567 0.747 . . . . 0.0 110.305 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.08 167.03 28.95 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.681 0.792 . . . . 0.0 110.922 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -68.37 154.7 41.28 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 109.61 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.36 -23.67 67.51 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.49 -48.11 75.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.492 1.117 . . . . 0.0 110.99 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -81.9 -32.87 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.088 0.955 . . . . 0.0 110.195 -171.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.452 -0.37 0 C-N-CA 124.07 0.948 . . . . 0.0 112.167 176.719 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.122 -0.466 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.92 110.3 22.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.683 0.793 . . . . 0.0 109.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.11 132.11 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.761 0.824 . . . . 0.0 108.844 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -130.76 162.18 30.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.34 1.056 . . . . 0.0 109.791 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.7 m -126.23 129.39 48.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.77 162.43 27.44 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.554 0.742 . . . . 0.0 110.097 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -125.18 157.21 37.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.8 t -49.38 119.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 120.72 0.295 . . . . 0.0 110.826 -175.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.24 -5.03 52.15 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.815 1.198 . . . . 0.0 114.603 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -94.71 169.82 9.89 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.951 1.375 . . . . 0.0 112.346 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -139.39 161.11 38.26 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.6 mm -130.6 157.56 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 127.36 2.264 . . . . 0.0 107.918 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -129.95 144.31 51.26 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.607 1.163 . . . . 0.0 110.553 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.97 133.08 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.489 0.715 . . . . 0.0 109.461 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.46 -131.35 38.07 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -123.89 -1.77 8.32 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.04 0.936 . . . . 0.0 112.315 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.32 -15.61 2.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.9 mt -107.8 139.68 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.74 0.7 . . . . 0.0 110.722 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -138.24 140.94 39.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.337 1.055 . . . . 0.0 109.485 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 mm -120.81 144.73 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.726 1.21 . . . . 0.0 108.529 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -138.77 136.16 35.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.464 0.706 . . . . 0.0 110.382 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -86.37 103.35 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.76 -30.43 51.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.104 -0.372 . . . . 0.0 110.484 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.61 -177.63 45.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 169.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 142.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.113 0.965 . . . . 0.0 110.859 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -136.19 68.34 1.44 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.211 1.405 . . . . 0.0 109.759 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.46 -118.14 7.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -80.07 -10.73 59.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.393 0.677 . . . . 0.0 111.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.87 158.87 15.35 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.965 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.19 127.6 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.556 1.542 . . . . 0.0 108.389 -169.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt85 -102.62 103.56 13.87 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.537 0.608 . . . . 0.0 110.73 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -108.59 133.05 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.558 1.543 . . . . 0.0 109.339 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.05 139.62 14.85 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 123.866 0.746 . . . . 0.0 111.647 173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.84 138.36 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.251 1.42 . . . . 0.0 108.45 174.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -126.67 75.01 1.52 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.526 1.13 . . . . 0.0 109.243 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.26 154.07 43.05 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.175 1.39 . . . . 0.0 110.637 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 155.59 57.28 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.489 2.126 . . . . 0.0 110.581 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -67.74 -3.39 9.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -30.96 71.61 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.962 0.905 . . . . 0.0 111.663 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.48 144.03 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 122.079 0.942 . . . . 0.0 111.789 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.05 41.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.547 1.139 . . . . 0.0 111.553 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -129.03 119.66 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -148.79 -176.0 5.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.809 0.844 . . . . 0.0 110.594 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -125.29 167.49 14.82 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 170.494 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.32 -29.13 69.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.26 -5.39 41.76 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -120.0 -26.88 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.89 1.276 . . . . 0.0 110.929 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.3 t80 . . . . . 0 N--CA 1.453 -0.292 0 O-C-N 121.461 -0.774 . . . . 0.0 110.667 -174.679 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.87 121.32 43.61 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.87 139.52 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.843 0.457 . . . . 0.0 111.743 -165.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.32 132.49 41.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.274 1.03 . . . . 0.0 110.706 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 57.4 m -89.89 117.92 29.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 168.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' B' ' 10' ' ' GLU . 1.4 tpm_? -128.61 134.17 48.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 0.0 110.167 -168.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -96.77 160.33 14.43 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 118.689 0.677 . . . . 0.0 111.944 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.0 127.58 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.481 0.658 . . . . 0.0 110.835 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.91 -3.6 65.01 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.126 -0.943 . . . . 0.0 114.595 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.407 ' HB2' ' HG3' ' B' ' 6' ' ' ARG . 33.9 mt-10 -82.26 164.97 20.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.906 1.353 . . . . 0.0 111.645 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -128.18 149.01 50.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.344 1.058 . . . . 0.0 111.781 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 18.0 mt -132.27 153.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 126.068 1.747 . . . . 0.0 109.679 -173.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -137.08 140.65 42.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.712 -0.618 . . . . 0.0 111.856 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -134.52 133.27 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.167 0.987 . . . . 0.0 109.719 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.86 -137.73 50.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.94 0.73 10.33 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.664 0.786 . . . . 0.0 112.107 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.56 -16.47 9.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.804 0.842 . . . . 0.0 113.0 -172.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.48 134.15 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.593 0.711 . . . . 0.0 110.86 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -127.0 148.15 50.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.741 1.216 . . . . 0.0 109.531 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -130.15 145.68 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.879 1.672 . . . . 0.0 107.839 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -137.42 131.91 32.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.988 -0.445 . . . . 0.0 110.262 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.67 91.43 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.83 -30.75 71.01 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.735 -0.603 . . . . 0.0 111.51 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.14 -174.48 37.73 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 113.587 0.195 . . . . 0.0 113.587 170.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.07 150.77 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.357 0.663 . . . . 0.0 110.43 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.0 m -132.34 79.56 1.86 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.378 1.071 . . . . 0.0 108.977 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.07 -116.26 4.4 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -175.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.39 8.13 43.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.513 0.725 . . . . 0.0 110.778 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -98.93 154.32 18.15 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.875 1.27 . . . . 0.0 110.136 170.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.2 t -143.54 118.32 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.804 1.242 . . . . 0.0 108.884 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.9 125.05 37.32 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -131.8 131.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.888 0.875 . . . . 0.0 109.979 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.17 139.99 14.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -124.82 130.9 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.87 0.843 . . . . 0.0 109.564 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -133.0 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.536 -168.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.04 157.64 50.12 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.53 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -60.28 155.78 44.21 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 121.738 1.625 . . . . 0.0 109.903 168.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.878 0.871 . . . . 0.0 111.736 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.85 -24.21 66.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.959 1.704 . . . . 0.0 110.955 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.45 144.14 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.531 1.132 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.61 141.4 29.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.518 0.675 . . . . 0.0 111.231 171.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.6 99.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.832 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.92 168.11 21.63 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 122.86 0.464 . . . . 0.0 111.212 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 21.0 ptt-85 -79.26 162.09 25.89 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.805 0.442 . . . . 0.0 112.106 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.1 -43.76 70.68 Favored 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 123.432 0.693 . . . . 0.0 112.244 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.22 -3.85 8.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -107.21 -50.88 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.847 1.259 . . . . 0.0 110.085 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -49.01 -37.77 21.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.814 1.646 . . . . 0.0 112.253 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.8 -24.68 65.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -79.54 -40.52 29.36 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.718 0.69 . . . . 0.0 110.469 171.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.447 ' HA ' HD12 ' B' ' 55' ' ' LEU . 91.4 mt -64.07 -40.24 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -80.15 4.93 15.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.0 -20.53 38.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.127 0.571 . . . . 0.0 111.955 169.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.8 45.67 0.07 OUTLIER Glycine 0 C--N 1.338 0.649 0 CA-C-O 119.431 -0.649 . . . . 0.0 114.663 169.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.97 -176.41 2.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.939 0.87 . . . . 0.0 112.802 -168.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -125.51 -177.75 4.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.341 1.457 . . . . 0.0 109.208 167.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.88 126.09 1.97 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 124.163 0.985 . . . . 0.0 111.826 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -63.71 -176.39 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.575 2.85 . . . . 0.0 113.576 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 124.321 1.049 . . . . 0.0 112.637 174.401 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.08 108.7 17.35 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.14 134.29 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.989 0.916 . . . . 0.0 109.538 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -131.79 135.0 46.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.462 1.105 . . . . 0.0 110.102 170.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.3 p -98.76 139.23 34.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.151 0.58 . . . . 0.0 111.206 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.51 131.46 27.77 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.483 0.713 . . . . 0.0 110.623 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.5 tptm -74.86 156.11 36.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 168.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.51 136.29 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 O-C-N 121.551 -0.718 . . . . 0.0 111.733 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.82 -4.07 84.89 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.557 1.075 . . . . 0.0 114.222 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -86.49 174.83 8.7 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.173 1.487 . . . . 0.0 112.421 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -134.76 158.91 42.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' D' ' 44' ' ' ARG . 30.7 mm -143.23 153.14 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 128.345 2.658 . . . . 0.0 107.789 -172.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -133.19 147.65 52.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.297 -0.877 . . . . 0.0 112.15 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.06 130.61 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.415 1.086 . . . . 0.0 108.939 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -139.12 42.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.23 10.0 9.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.126 0.97 . . . . 0.0 112.005 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.17 -17.69 10.18 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.34 1.056 . . . . 0.0 113.088 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.51 139.74 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 118.842 0.746 . . . . 0.0 111.424 -169.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -128.38 140.7 51.71 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.915 1.286 . . . . 0.0 109.242 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.95 140.41 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.475 1.11 . . . . 0.0 108.441 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -137.74 130.08 29.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.018 -0.426 . . . . 0.0 110.414 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.96 123.94 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -98.55 -38.02 9.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -175.38 45.38 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.209 -0.519 . . . . 0.0 114.103 168.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -122.46 149.39 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.593 0.757 . . . . 0.0 110.589 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -143.0 102.16 3.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.677 1.191 . . . . 0.0 108.645 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.4 -127.62 20.71 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -169.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.51 -0.83 54.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.823 0.849 . . . . 0.0 112.124 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.82 153.44 24.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.847 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' D' ' 30' ' ' VAL . 42.5 t -133.97 123.02 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.95 1.3 . . . . 0.0 108.003 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -86.25 112.33 21.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.55 130.89 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.756 1.223 . . . . 0.0 109.065 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 137.28 13.16 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 124.055 0.836 . . . . 0.0 111.529 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.08 123.19 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.497 1.119 . . . . 0.0 108.609 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.13 93.66 3.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.812 0.445 . . . . 0.0 110.003 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.98 154.36 81.69 Favored Pre-proline 0 N--CA 1.453 -0.301 0 C-N-CA 124.476 1.11 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.61 151.69 74.05 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.506 2.137 . . . . 0.0 110.926 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -65.08 -1.0 1.86 Allowed 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.525 0.73 . . . . 0.0 112.453 172.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.03 -19.81 65.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.831 0.853 . . . . 0.0 111.648 168.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.37 141.33 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.237 1.015 . . . . 0.0 110.303 174.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.74 23.6 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.205 -0.309 . . . . 0.0 111.313 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -137.74 133.57 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.59 . . . . 0.0 110.138 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.44 163.63 38.31 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.826 0.85 . . . . 0.0 111.367 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.74 159.36 19.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 166.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.83 -35.12 68.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -67.38 -26.68 66.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.2 mm -91.77 -37.41 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.454 0.702 . . . . 0.0 110.371 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -51.56 -36.64 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.147 0.979 . . . . 0.0 112.513 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.32 -30.57 66.78 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.396 0.678 . . . . 0.0 111.858 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.413 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.464 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.785 -0.08 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -113.65 114.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.618 1.567 . . . . 0.0 108.197 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.464 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -99.28 136.7 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.607 1.163 . . . . 0.0 109.461 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.01 142.76 27.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.313 1.445 . . . . 0.0 108.586 -168.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.48 117.37 30.18 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -171.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -124.95 131.89 53.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.735 0.814 . . . . 0.0 111.131 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -76.74 156.23 32.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.676 0.671 . . . . 0.0 110.881 169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.702 HG11 HG12 ' D' ' 25' ' ' VAL . 23.8 m -48.81 137.78 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.943 169.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.99 -3.69 86.81 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.383 0.992 . . . . 0.0 114.121 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -95.46 170.86 9.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.991 1.396 . . . . 0.0 112.068 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -127.42 155.26 43.94 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mt -137.59 160.07 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 127.51 2.324 . . . . 0.0 108.212 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -138.16 149.21 45.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.264 -0.897 . . . . 0.0 111.759 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.89 135.96 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.679 1.192 . . . . 0.0 109.083 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.53 -137.72 49.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.24 7.67 9.69 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.013 0.925 . . . . 0.0 111.824 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.72 -11.5 3.45 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -171.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.02 136.17 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.751 0.705 . . . . 0.0 110.719 -172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 59.7 m -122.46 149.71 43.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.404 1.082 . . . . 0.0 109.938 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -132.15 144.11 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.1 1.76 . . . . 0.0 107.576 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -142.34 132.08 24.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.878 -0.514 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -86.96 90.06 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.22 -36.5 77.85 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.752 0.421 . . . . 0.0 110.687 -172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.43 -175.78 45.52 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-O 121.294 0.385 . . . . 0.0 112.983 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.702 HG12 HG11 ' D' ' 8' ' ' VAL . 10.3 p -124.74 134.21 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.806 1.242 . . . . 0.0 109.807 -177.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.2 m -135.68 89.76 2.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.944 0.898 . . . . 0.0 110.021 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.53 -114.15 5.77 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.458 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -101.52 -2.55 30.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.422 0.689 . . . . 0.0 110.822 173.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -76.41 155.27 34.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.528 0.68 . . . . 0.0 111.395 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' C' ' 30' ' ' VAL . 76.6 t -129.57 120.85 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 169.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -95.17 102.64 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.529 1.132 . . . . 0.0 108.517 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.19 124.54 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.564 0.745 . . . . 0.0 109.954 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.63 133.05 11.41 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -121.77 139.32 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.814 0.846 . . . . 0.0 108.759 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.07 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.155 0.582 . . . . 0.0 109.76 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.64 156.97 60.75 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.483 1.113 . . . . 0.0 109.815 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -61.67 151.46 80.29 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.082 1.855 . . . . 0.0 110.306 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.18 -0.95 1.92 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.297 0.639 . . . . 0.0 112.423 169.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -65.93 -24.11 66.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.855 1.262 . . . . 0.0 111.062 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.99 159.58 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.673 1.189 . . . . 0.0 110.539 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 157.13 16.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.141 0.577 . . . . 0.0 111.793 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.95 125.35 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.816 -0.552 . . . . 0.0 110.894 169.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -148.09 171.63 15.56 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.87 0.868 . . . . 0.0 111.845 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' C' ' 12' ' ' ILE . 71.4 mtm-85 -71.23 157.27 38.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 169.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.18 -29.1 70.23 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.806 -0.559 . . . . 0.0 111.8 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.49 -25.98 61.62 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.86 0.864 . . . . 0.0 112.801 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -88.05 -38.42 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.504 1.122 . . . . 0.0 110.784 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.47 -40.74 68.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.135 0.974 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.89 -22.09 66.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -76.85 -37.06 56.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.724 0.81 . . . . 0.0 111.563 172.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -173.757 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.104 0.478 . . . . 0.0 109.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.7 136.62 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.613 1.165 . . . . 0.0 109.919 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.5 165.01 25.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.038 1.735 . . . . 0.0 110.66 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.65 7.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 167.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -115.48 128.52 56.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.997 1.719 . . . . 0.0 109.512 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -93.17 167.58 11.67 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 120.024 1.284 . . . . 0.0 112.589 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -60.82 138.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.588 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.74 84.64 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.132 0.872 . . . . 0.0 113.917 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -95.0 174.79 6.91 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.548 1.174 . . . . 0.0 111.691 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -133.79 157.3 46.25 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -169.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -138.38 159.42 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 126.957 2.103 . . . . 0.0 108.045 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -138.31 150.99 47.16 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.329 -0.857 . . . . 0.0 113.189 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -137.44 138.62 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.746 1.218 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -138.88 48.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.72 10.11 7.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.956 0.902 . . . . 0.0 112.388 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.37 -12.13 5.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.44 135.29 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 119.309 0.959 . . . . 0.0 111.313 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.3 m -124.46 144.24 50.19 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.52 1.128 . . . . 0.0 109.989 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -124.64 139.65 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.164 1.386 . . . . 0.0 108.219 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.32 130.79 39.35 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.968 0.507 . . . . 0.0 110.09 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.26 103.14 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.13 -28.71 57.54 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.085 -0.385 . . . . 0.0 111.144 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -171.46 34.62 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.016 0.341 . . . . 0.0 113.841 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.5 158.85 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.809 0.843 . . . . 0.0 112.309 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.98 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.677 1.191 . . . . 0.0 109.295 168.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.79 -111.9 3.84 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.509 -0.745 . . . . 0.0 111.668 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -92.06 -17.79 24.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.77 0.785 . . . . 0.0 111.488 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.47 143.87 44.46 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.526 0.679 . . . . 0.0 110.049 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.28 112.91 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -85.7 125.79 33.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -133.42 135.1 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.334 0.653 . . . . 0.0 110.31 -169.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.23 143.36 15.65 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.526 1.06 . . . . 0.0 111.691 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -133.18 123.87 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.847 1.259 . . . . 0.0 108.915 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -124.06 99.58 6.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.153 0.581 . . . . 0.0 109.684 -172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.41 155.82 71.89 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.336 1.054 . . . . 0.0 110.455 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.95 159.0 35.7 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.825 2.35 . . . . 0.0 111.949 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -69.09 -0.91 6.46 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.413 0.685 . . . . 0.0 112.575 169.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.01 -23.45 67.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.758 1.223 . . . . 0.0 111.518 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -121.93 156.0 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.329 1.052 . . . . 0.0 110.848 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.11 155.68 17.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.713 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.09 125.09 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.069 0.548 . . . . 0.0 110.044 170.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -150.0 163.45 38.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.861 0.865 . . . . 0.0 110.662 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -69.0 159.56 32.59 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.48 -28.14 69.76 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.054 -0.404 . . . . 0.0 111.403 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.15 -45.08 79.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -83.83 -33.69 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.088 0.955 . . . . 0.0 109.88 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.926 0.891 . . . . 0.0 112.63 179.059 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.11 147.58 22.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.017 -0.427 . . . . 0.0 111.525 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.07 137.46 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.131 0.973 . . . . 0.0 108.643 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt -136.63 164.97 26.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.402 1.081 . . . . 0.0 109.366 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.22 97.96 4.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 169.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -104.9 162.05 13.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.518 1.127 . . . . 0.0 110.361 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.78 168.57 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -55.32 134.16 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.209 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.39 68.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.422 1.011 . . . . 0.0 114.685 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -91.14 175.44 6.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.06 1.43 . . . . 0.0 112.588 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -136.54 155.56 49.78 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.5 0.72 . . . . 0.0 112.775 -172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 36.7 mt -137.28 152.8 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 126.184 1.794 . . . . 0.0 108.764 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -120.66 148.74 43.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.879 0.872 . . . . 0.0 112.382 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.46 141.02 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.632 1.173 . . . . 0.0 108.758 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -135.25 52.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -120.9 3.95 10.51 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.044 0.938 . . . . 0.0 112.047 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.45 -12.56 1.36 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.4 137.24 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.187 0.903 . . . . 0.0 110.5 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -126.89 142.64 51.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.258 1.023 . . . . 0.0 110.35 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -123.22 134.7 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.46 1.504 . . . . 0.0 108.406 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.09 133.75 44.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.469 0.708 . . . . 0.0 110.051 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -95.39 106.21 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.63 -30.78 41.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.01 -0.431 . . . . 0.0 110.771 -171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 -176.04 34.61 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.037 0.351 . . . . 0.0 113.392 169.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.84 153.0 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.688 0.795 . . . . 0.0 111.853 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -141.91 89.9 2.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.084 1.354 . . . . 0.0 108.884 169.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.26 -103.25 1.05 Allowed Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.936 -0.477 . . . . 0.0 112.025 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -98.73 -22.18 16.02 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 117.567 0.683 . . . . 0.0 112.107 171.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -71.6 141.87 50.0 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 109.905 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -131.66 115.67 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -87.58 120.2 28.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.95 138.7 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.242 1.017 . . . . 0.0 109.564 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.57 16.6 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.904 0.764 . . . . 0.0 111.351 172.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.9 mt -131.84 130.51 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.47 1.108 . . . . 0.0 109.508 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -125.15 107.02 10.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.68 157.8 77.06 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 123.989 0.915 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.09 161.95 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.046 2.498 . . . . 0.0 112.283 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.9 -4.32 12.53 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.58 -24.18 66.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.237 1.415 . . . . 0.0 112.137 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -127.13 164.15 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.257 1.023 . . . . 0.0 110.974 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.33 13.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.087 0.555 . . . . 0.0 111.437 169.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.0 122.53 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.494 0.718 . . . . 0.0 109.831 171.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -153.06 175.28 13.16 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.721 0.808 . . . . 0.0 110.793 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -74.63 161.15 29.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -62.24 -30.45 71.12 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.144 -0.347 . . . . 0.0 111.771 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.02 -40.53 73.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.28 1.032 . . . . 0.0 111.79 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.92 -35.55 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.233 1.013 . . . . 0.0 110.447 -171.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.696 1.598 . . . . 0.0 112.348 175.411 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 118.983 -0.532 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 113.08 24.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.87 0.868 . . . . 0.0 109.646 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.77 136.31 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.926 0.891 . . . . 0.0 109.537 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.98 159.4 40.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.44 1.096 . . . . 0.0 110.066 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 m -128.02 100.93 6.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.776 0.83 . . . . 0.0 108.9 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -123.6 159.05 30.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.029 0.532 . . . . 0.0 111.11 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -110.0 161.71 15.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.991 0.917 . . . . 0.0 110.764 -168.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.96 123.77 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.859 0.464 . . . . 0.0 110.646 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.51 -2.73 65.23 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.469 1.033 . . . . 0.0 114.089 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -95.89 166.78 11.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.73 1.265 . . . . 0.0 112.139 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -132.9 152.78 51.82 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -168.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 3.5 mm -116.08 157.59 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 126.207 1.803 . . . . 0.0 109.808 169.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.41 136.86 48.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.186 0.995 . . . . 0.0 110.823 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.5 136.17 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.606 1.163 . . . . 0.0 110.05 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.49 -129.81 28.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -125.79 -1.78 7.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.895 0.878 . . . . 0.0 112.338 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -135.91 -18.78 1.58 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -100.96 136.68 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.865 0.757 . . . . 0.0 110.301 -172.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -135.6 144.22 46.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.615 0.766 . . . . 0.0 109.331 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -126.0 142.34 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 108.514 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -136.65 130.57 32.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.012 0.525 . . . . 0.0 110.077 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.33 101.95 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 169.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.22 -30.83 60.7 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.172 -0.33 . . . . 0.0 110.206 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -177.5 42.52 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 113.874 0.309 . . . . 0.0 113.874 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.82 152.98 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.312 1.045 . . . . 0.0 111.084 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -136.71 60.91 1.65 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.452 1.101 . . . . 0.0 109.677 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.59 -120.17 5.3 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.08 -12.63 56.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.513 0.725 . . . . 0.0 111.95 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -99.06 152.99 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.869 0.842 . . . . 0.0 112.0 170.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.19 138.2 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.63 1.972 . . . . 0.0 108.421 -169.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -119.59 104.29 10.16 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.44 136.94 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.824 1.649 . . . . 0.0 109.537 -170.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 139.26 14.69 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.762 0.696 . . . . 0.0 111.614 170.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.72 136.43 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.102 1.361 . . . . 0.0 108.353 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -123.81 74.99 1.31 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.529 1.132 . . . . 0.0 109.267 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.9 153.72 44.39 Favored Pre-proline 0 N--CA 1.453 -0.276 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.702 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.58 153.31 60.1 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.491 2.127 . . . . 0.0 110.569 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -66.49 -7.24 18.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.07 -26.56 66.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.991 0.917 . . . . 0.0 112.25 170.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.36 144.07 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.066 0.936 . . . . 0.0 112.145 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.53 143.04 40.64 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.089 1.355 . . . . 0.0 111.79 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.7 t -129.2 120.97 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.69 172.47 14.01 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.661 0.784 . . . . 0.0 111.468 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.17 159.57 14.86 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.646 0.778 . . . . 0.0 109.852 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.7 -25.79 66.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.068 0.849 . . . . 0.0 112.189 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -75.66 -7.39 54.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.64 -28.65 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 C-N-CA 124.423 1.089 . . . . 0.0 111.273 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.6 t80 . . . . . 0 N--CA 1.451 -0.404 0 O-C-N 121.423 -0.798 . . . . 0.0 110.506 -175.303 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -111.35 119.76 39.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.308 1.443 . . . . 0.0 107.19 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.56 137.06 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -165.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.6 144.16 37.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.686 1.194 . . . . 0.0 110.863 -170.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.5 m -111.76 125.73 54.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.401 0.68 . . . . 0.0 109.588 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' B' ' 12' ' ' ILE . 6.4 mmp_? -133.24 139.54 47.01 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.484 1.113 . . . . 0.0 111.021 -174.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -81.71 155.4 25.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.904 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.58 130.25 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.11 -5.92 63.57 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.786 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -92.25 162.58 14.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.174 1.487 . . . . 0.0 111.984 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -128.69 156.54 43.32 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' B' ' 6' ' ' ARG . 38.3 mm -141.13 150.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.266 2.226 . . . . 0.0 108.482 -170.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.16 142.61 49.53 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 121.203 -0.936 . . . . 0.0 111.509 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.33 130.16 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.032 0.933 . . . . 0.0 109.659 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.41 50.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -125.04 5.04 7.93 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.869 0.868 . . . . 0.0 112.769 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -115.63 -20.62 10.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.91 136.79 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.003 0.82 . . . . 0.0 111.395 -169.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -130.43 147.65 52.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.008 1.323 . . . . 0.0 109.609 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -130.33 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.679 1.592 . . . . 0.0 108.172 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -135.8 130.98 34.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.782 0.433 . . . . 0.0 110.295 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.73 109.27 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 169.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -80.49 -30.5 37.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.772 -0.58 . . . . 0.0 111.143 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 179.97 36.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 113.424 0.129 . . . . 0.0 113.424 170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.9 151.69 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.359 0.664 . . . . 0.0 110.848 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -132.95 79.47 1.84 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.801 1.24 . . . . 0.0 108.565 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.61 -114.97 4.61 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.97 7.38 39.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.743 0.817 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.89 146.63 25.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.596 1.158 . . . . 0.0 109.357 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.01 119.7 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 109.593 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 120.76 30.74 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.882 1.273 . . . . 0.0 109.469 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.24 133.69 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.11 0.964 . . . . 0.0 109.921 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.28 139.56 14.53 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mt -122.55 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 123.957 0.903 . . . . 0.0 108.815 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -131.84 80.73 1.93 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.532 -167.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.84 157.15 72.52 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.467 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -57.36 153.48 40.43 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.708 1.605 . . . . 0.0 110.399 169.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -68.39 -0.62 5.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.103 0.561 . . . . 0.0 111.88 170.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -29.53 69.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.403 1.481 . . . . 0.0 111.58 172.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -105.21 144.11 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.251 1.02 . . . . 0.0 110.401 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.83 28.38 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.722 0.772 . . . . 0.0 111.33 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.76 95.75 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 -166.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.49 157.52 44.66 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.755 -0.59 . . . . 0.0 111.29 176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.8 ptt-85 -67.41 155.76 38.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.537 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -54.39 -41.1 68.86 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.36 0.664 . . . . 0.0 112.479 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.73 -23.17 67.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -87.32 -50.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.215 1.006 . . . . 0.0 110.414 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -51.32 -35.9 40.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.663 1.185 . . . . 0.0 112.043 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.37 -21.06 62.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.69 -37.18 27.8 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.373 0.988 . . . . 0.0 110.62 169.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -41.67 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -79.35 5.09 13.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.77 -20.74 41.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.009 0.523 . . . . 0.0 111.896 169.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.97 46.16 0.06 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-O 119.347 -0.696 . . . . 0.0 114.679 168.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.0 -176.18 2.56 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.022 0.911 . . . . 0.0 112.894 -168.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 9.3 m -122.71 170.56 9.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.309 1.444 . . . . 0.0 108.537 168.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.96 118.77 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.078 1.351 . . . . 0.0 111.891 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 48.6 Cg_exo -66.19 176.46 3.9 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.595 2.197 . . . . 0.0 113.311 -170.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.108 0.963 . . . . 0.0 112.544 177.608 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.37 108.7 19.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 166.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.57 135.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.837 0.855 . . . . 0.0 109.842 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -128.78 134.97 48.56 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.761 0.824 . . . . 0.0 109.487 168.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -92.66 144.76 25.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 110.094 169.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.406 HH11 ' HB2' ' C' ' 6' ' ' ARG . 1.5 mtp-105 -146.08 164.0 33.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 171.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.7 tptm -100.36 155.54 17.74 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.934 0.894 . . . . 0.0 109.369 170.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.74 134.18 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 118.189 0.45 . . . . 0.0 111.596 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.85 -7.07 64.88 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.946 1.26 . . . . 0.0 114.743 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.12 175.31 6.99 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.342 1.571 . . . . 0.0 112.976 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -128.52 153.04 47.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.6 156.83 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.547 2.339 . . . . 0.0 108.392 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -125.3 148.84 48.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.887 0.875 . . . . 0.0 111.91 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.22 131.8 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.543 1.137 . . . . 0.0 108.721 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.09 -138.22 43.11 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -170.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -122.19 9.91 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.184 0.993 . . . . 0.0 111.947 169.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -118.48 -17.71 9.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.366 1.066 . . . . 0.0 113.223 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.42 140.87 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.774 0.715 . . . . 0.0 111.099 -169.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -129.11 140.8 51.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.758 1.223 . . . . 0.0 109.395 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -119.27 135.61 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.829 1.252 . . . . 0.0 108.737 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -128.89 133.56 47.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.335 0.654 . . . . 0.0 109.79 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 tp -94.7 126.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.54 -38.98 7.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -171.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.46 -173.53 44.9 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.846 168.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.28 155.06 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -144.44 102.94 3.9 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.552 1.141 . . . . 0.0 108.965 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.91 -119.49 15.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -171.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.43 -0.56 43.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.087 0.955 . . . . 0.0 111.843 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 23.5 mt-30 -88.56 155.23 19.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.647 0.737 . . . . 0.0 111.66 173.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.57 122.64 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.086 1.354 . . . . 0.0 108.266 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -84.26 113.72 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 mt -118.05 132.26 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.358 1.463 . . . . 0.0 109.511 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.55 140.23 15.01 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.315 0.959 . . . . 0.0 111.949 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.14 127.93 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.582 1.153 . . . . 0.0 108.384 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -128.33 95.13 4.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.082 -0.386 . . . . 0.0 110.247 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.92 157.23 78.25 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 124.654 1.181 . . . . 0.0 110.254 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.21 151.22 83.43 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.522 2.148 . . . . 0.0 111.01 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.28 -0.99 2.91 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.265 0.626 . . . . 0.0 112.645 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.88 -22.24 66.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.321 1.048 . . . . 0.0 111.508 169.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.62 147.14 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.113 0.965 . . . . 0.0 110.406 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.58 156.76 20.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.594 0.358 . . . . 0.0 111.393 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -137.78 131.61 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.182 0.593 . . . . 0.0 109.817 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -155.1 164.24 39.14 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.365 0.666 . . . . 0.0 111.788 -174.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -75.56 157.29 34.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 166.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.78 -35.81 77.37 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.591 0.632 . . . . 0.0 111.69 -175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.68 -17.58 61.63 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.56 -36.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.672 0.789 . . . . 0.0 110.616 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -52.63 -34.83 53.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.087 1.355 . . . . 0.0 112.5 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -59.49 -29.46 67.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.768 0.827 . . . . 0.0 112.428 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.09 -36.56 77.72 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.637 0.775 . . . . 0.0 111.816 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.424 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.454 -0.238 0 O-C-N 121.927 -0.483 . . . . 0.0 109.808 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.475 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.2 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -116.21 115.23 25.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.202 1.801 . . . . 0.0 106.867 166.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -100.43 134.99 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 109.429 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 55.1 mt -123.66 171.15 9.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.153 1.381 . . . . 0.0 110.12 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.64 109.88 8.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.04 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.35 148.92 45.54 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.784 0.834 . . . . 0.0 110.822 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 14.2 mmtp -76.96 160.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.207 0.527 . . . . 0.0 111.561 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.88 138.69 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.41 0.684 . . . . 0.0 111.345 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.34 -4.97 85.84 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.16 0.886 . . . . 0.0 113.917 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.99 167.6 13.56 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.952 1.376 . . . . 0.0 112.463 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.03 154.45 44.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.831 0.852 . . . . 0.0 112.4 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -144.27 160.57 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 127.466 2.307 . . . . 0.0 107.973 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -139.88 152.27 46.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.223 -0.923 . . . . 0.0 112.71 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.07 138.75 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.039 1.335 . . . . 0.0 109.001 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.02 -136.05 50.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.92 10.03 8.21 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.316 1.046 . . . . 0.0 111.573 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -134.41 -11.88 2.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -170.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.43 137.06 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.788 0.722 . . . . 0.0 110.559 -172.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 46.5 m -120.25 145.48 46.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.396 1.078 . . . . 0.0 109.924 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -127.07 139.12 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.532 1.533 . . . . 0.0 107.843 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 9.4 m -136.01 128.13 29.8 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.63 105.25 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.28 -30.29 48.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.126 0.57 . . . . 0.0 110.59 -173.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.56 -172.11 39.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 169.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -111.75 161.02 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.492 0.717 . . . . 0.0 110.745 169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -144.63 77.06 1.52 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.594 0.758 . . . . 0.0 109.711 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.47 -114.44 3.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -174.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.8 mp0 -95.64 -1.29 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.401 0.68 . . . . 0.0 110.179 171.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.38 154.63 34.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.461 0.648 . . . . 0.0 112.363 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.19 120.99 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.716 1.606 . . . . 0.0 107.205 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -95.68 114.64 26.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.454 1.102 . . . . 0.0 108.58 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.03 129.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.217 0.607 . . . . 0.0 110.409 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.22 136.77 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.74 140.74 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 171.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -137.98 90.88 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.233 0.613 . . . . 0.0 109.543 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.91 156.73 65.17 Favored Pre-proline 0 N--CA 1.452 -0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.139 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.72 152.01 83.56 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.392 2.061 . . . . 0.0 110.535 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -69.95 -1.03 8.47 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.85 -22.23 65.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.616 1.166 . . . . 0.0 111.308 168.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -126.19 160.08 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.401 1.08 . . . . 0.0 110.657 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.68 157.02 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.053 0.541 . . . . 0.0 112.075 -175.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.8 124.08 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 122.844 0.458 . . . . 0.0 110.501 169.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.71 161.25 42.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.354 0.662 . . . . 0.0 112.291 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -64.86 156.0 32.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.698 0.399 . . . . 0.0 109.999 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.02 -33.14 70.4 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.031 0.532 . . . . 0.0 111.957 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.12 -47.62 85.13 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.055 0.942 . . . . 0.0 111.641 172.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -74.26 -39.5 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 124.29 1.036 . . . . 0.0 110.305 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -51.53 -38.46 54.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.4 -24.25 62.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.92 -36.36 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.283 0.947 . . . . 0.0 110.176 170.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -171.368 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.747 0.308 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.88 140.22 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.825 1.25 . . . . 0.0 109.59 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -137.86 160.33 39.57 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.159 1.383 . . . . 0.0 111.221 -171.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.79 100.7 4.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 166.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.6 mmp_? -117.77 143.16 46.5 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 124.61 1.164 . . . . 0.0 112.167 -168.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -85.45 159.17 20.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.745 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -59.21 135.54 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 111.257 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -7.89 77.64 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.204 0.907 . . . . 0.0 114.44 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.33 164.65 16.14 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.075 1.438 . . . . 0.0 111.913 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -136.26 152.73 51.03 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.414 HD11 ' CD ' ' E' ' 6' ' ' ARG . 45.1 mm -137.94 150.96 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 126.972 2.109 . . . . 0.0 108.156 -170.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -132.05 144.37 50.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.335 -0.853 . . . . 0.0 112.009 -169.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -134.4 139.7 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.59 1.156 . . . . 0.0 109.207 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.04 -134.42 52.4 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.43 9.66 7.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.648 0.779 . . . . 0.0 111.54 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -136.49 -8.52 1.94 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.45 134.86 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.947 0.794 . . . . 0.0 110.506 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -128.54 142.42 51.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.008 0.923 . . . . 0.0 110.459 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -120.37 140.48 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.722 1.609 . . . . 0.0 108.092 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -137.59 126.15 23.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.12 0.568 . . . . 0.0 109.997 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -75.45 111.13 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 169.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.51 -35.08 53.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.158 -0.339 . . . . 0.0 110.147 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 178.5 31.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.077 0.37 . . . . 0.0 113.388 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.46 156.94 6.95 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 123.539 0.735 . . . . 0.0 111.909 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.6 89.93 1.74 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.5 1.12 . . . . 0.0 109.521 169.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 -109.45 2.88 Favored Glycine 0 CA--C 1.525 0.679 0 O-C-N 121.698 -0.627 . . . . 0.0 111.765 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -95.0 -22.29 18.04 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.61 0.705 . . . . 0.0 111.776 171.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -73.28 146.11 45.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.344 0.592 . . . . 0.0 110.199 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.82 116.01 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -89.65 123.69 33.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.49 126.9 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.97 0.908 . . . . 0.0 110.191 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.04 142.1 16.68 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.077 0.846 . . . . 0.0 111.55 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -134.49 123.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.019 1.327 . . . . 0.0 108.779 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -125.14 99.93 6.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.065 0.546 . . . . 0.0 109.556 -170.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.32 155.55 73.97 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 124.476 1.11 . . . . 0.0 110.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.86 158.62 46.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.161 2.574 . . . . 0.0 112.148 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -72.48 -0.88 13.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 172.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.82 -21.62 66.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.289 1.036 . . . . 0.0 111.514 169.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -124.19 159.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.168 0.987 . . . . 0.0 110.705 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.53 155.99 16.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.08 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 42' ' ' VAL . . . . . 0.402 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.83 125.26 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.984 0.514 . . . . 0.0 110.273 169.336 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -151.42 169.41 22.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.58 1.152 . . . . 0.0 109.589 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 29.6 ptt-85 -78.5 166.46 22.57 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.622 -0.674 . . . . 0.0 110.523 169.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.41 -26.06 68.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.14 -48.97 79.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.046 0.938 . . . . 0.0 111.888 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -79.79 -32.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.716 0.806 . . . . 0.0 109.878 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.404 1.082 . . . . 0.0 112.824 179.659 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 2' ' ' LEU . . . . . 0.402 HD12 HG13 ' E' ' 42' ' ' VAL . 7.8 mt -93.5 150.91 20.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.881 -0.512 . . . . 0.0 111.55 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.36 124.84 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.44 152.04 29.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.458 1.503 . . . . 0.0 109.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 106.78 12.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 54.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.092 1.357 . . . . 0.0 110.002 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.11 165.13 13.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.33 0.968 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.54 136.1 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.294 -169.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.89 76.7 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.297 0.951 . . . . 0.0 114.109 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.69 172.16 7.88 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.628 1.214 . . . . 0.0 111.693 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -134.57 157.31 46.89 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 54.1 mt -136.41 154.74 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 126.256 1.822 . . . . 0.0 108.735 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.21 148.02 51.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.802 0.841 . . . . 0.0 111.828 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -135.14 140.21 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.386 1.074 . . . . 0.0 109.193 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.38 -138.01 49.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.82 9.88 11.46 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.927 0.891 . . . . 0.0 111.706 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.82 -14.86 1.05 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.6 138.96 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.328 0.967 . . . . 0.0 110.706 -172.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -128.63 141.01 51.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.031 0.933 . . . . 0.0 110.53 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -120.34 140.53 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.669 1.588 . . . . 0.0 108.203 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -133.8 128.45 34.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.039 0.536 . . . . 0.0 109.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.13 106.2 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 169.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.29 -28.62 42.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.426 0.69 . . . . 0.0 110.897 -173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.84 -172.16 35.6 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.318 0.485 . . . . 0.0 112.871 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.01 149.3 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.365 0.666 . . . . 0.0 111.194 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -139.24 89.91 2.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.774 1.23 . . . . 0.0 108.534 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.85 -124.49 34.33 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -172.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -79.14 -18.36 53.3 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.08 143.88 33.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.375 0.607 . . . . 0.0 110.36 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 76.0 t -131.73 121.01 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm105 -91.61 124.7 35.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.957 0.903 . . . . 0.0 109.026 -172.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.68 146.41 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.697 0.799 . . . . 0.0 110.527 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.81 143.69 15.93 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.953 0.787 . . . . 0.0 111.455 172.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.62 129.63 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 109.651 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -124.53 109.39 13.17 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 157.2 74.73 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 123.739 0.816 . . . . 0.0 111.328 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.52 161.87 36.47 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.064 2.509 . . . . 0.0 112.369 172.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.32 -4.31 10.45 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.416 0.686 . . . . 0.0 112.749 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -24.4 66.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.338 1.455 . . . . 0.0 112.333 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -124.0 164.3 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.928 0.891 . . . . 0.0 111.268 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.19 15.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.305 0.642 . . . . 0.0 111.226 169.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.06 125.5 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.051 0.54 . . . . 0.0 110.406 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -154.1 171.6 18.85 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 110.944 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -82.16 161.92 22.62 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.102 -0.374 . . . . 0.0 109.999 167.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -18.69 65.51 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -170.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.97 -41.6 87.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.54 0.736 . . . . 0.0 111.231 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -88.72 -36.11 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.778 0.831 . . . . 0.0 109.924 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 123.589 0.756 . . . . 0.0 112.629 -179.752 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 108.63 21.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.579 0.751 . . . . 0.0 109.493 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.76 135.23 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.629 0.772 . . . . 0.0 109.204 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -133.36 159.17 41.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.59 1.156 . . . . 0.0 109.652 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.5 m -122.74 100.96 7.18 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -95.94 166.65 11.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.922 0.489 . . . . 0.0 110.365 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -129.1 157.0 42.99 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.66 121.25 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.939 0.495 . . . . 0.0 110.945 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.91 -4.84 57.76 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.755 1.169 . . . . 0.0 114.647 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -92.75 165.57 12.88 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.909 1.354 . . . . 0.0 112.034 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -137.31 149.39 47.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -169.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 24.8 mm -113.2 153.79 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 125.848 1.659 . . . . 0.0 109.548 169.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -125.69 138.11 53.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.559 1.144 . . . . 0.0 109.831 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -132.9 131.57 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.134 0.973 . . . . 0.0 109.532 -171.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.05 -127.03 27.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.0 0.76 5.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.704 0.802 . . . . 0.0 112.353 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -135.05 -21.27 1.65 Allowed 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 mt -102.28 138.89 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.407 0.683 . . . . 0.0 110.36 -170.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -135.25 145.28 47.44 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.774 0.829 . . . . 0.0 109.663 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.87 141.09 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.822 1.249 . . . . 0.0 108.334 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -139.53 135.96 34.0 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.498 0.59 . . . . 0.0 110.316 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -85.22 99.82 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -25.15 58.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.723 -0.611 . . . . 0.0 110.719 -175.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.22 42.36 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 118.148 0.431 . . . . 0.0 113.853 169.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -130.58 155.23 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.044 0.938 . . . . 0.0 111.685 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -141.6 65.71 1.37 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.893 1.277 . . . . 0.0 109.996 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.22 -119.98 5.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -80.82 -4.41 54.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.194 0.598 . . . . 0.0 111.786 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -99.22 159.93 14.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.88 0.848 . . . . 0.0 112.745 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.78 128.36 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.0 1.72 . . . . 0.0 108.441 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -104.67 101.96 11.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.068 0.947 . . . . 0.0 110.397 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -108.2 130.48 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.184 1.394 . . . . 0.0 109.386 -174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.39 141.27 15.24 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.709 0.671 . . . . 0.0 111.599 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 mt -120.99 131.23 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.317 1.447 . . . . 0.0 108.025 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.23 74.99 1.27 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.23 1.014 . . . . 0.0 109.261 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.79 153.45 39.29 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.837 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.67 154.22 59.54 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.505 2.136 . . . . 0.0 110.509 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -68.11 -5.97 20.55 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -67.36 -25.6 66.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.984 0.914 . . . . 0.0 112.146 169.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -117.24 144.04 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.013 0.911 . . . . 0.0 111.909 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.84 143.07 44.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.392 1.077 . . . . 0.0 111.46 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.15 120.16 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.033 0.533 . . . . 0.0 109.699 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -148.66 -175.92 5.12 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.847 0.859 . . . . 0.0 110.699 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -124.89 170.1 11.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 170.349 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -59.7 -39.49 84.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -71.36 -6.53 40.8 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.91 -28.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 110.869 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.45 -0.428 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -175.485 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.18 121.98 41.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 107.133 169.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.68 139.83 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.903 0.481 . . . . 0.0 111.675 -165.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.07 140.33 46.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.578 1.151 . . . . 0.0 110.587 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -116.82 102.94 9.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -128.23 159.19 36.0 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.216 1.006 . . . . 0.0 110.828 -169.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -91.88 165.93 12.99 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.82 135.96 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.238 0.542 . . . . 0.0 110.819 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.06 78.73 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.138 -0.812 . . . . 0.0 114.42 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.77 158.16 25.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 119.104 1.452 . . . . 0.0 112.232 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -125.7 144.75 50.47 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.422 1.089 . . . . 0.0 111.37 -173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 14.1 mt -136.7 153.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.51 1.524 . . . . 0.0 109.57 -169.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -137.31 140.56 41.61 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.696 -0.628 . . . . 0.0 112.378 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.72 132.43 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 124.169 0.988 . . . . 0.0 109.802 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.74 -139.41 48.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -119.05 0.83 11.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.35 -20.32 9.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.542 0.737 . . . . 0.0 112.962 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.1 135.08 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-O 121.685 0.755 . . . . 0.0 110.952 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -130.66 149.19 52.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.76 1.224 . . . . 0.0 109.652 170.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -128.86 141.91 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.98 1.712 . . . . 0.0 108.014 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.41 127.93 32.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.76 0.424 . . . . 0.0 109.994 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -81.92 105.95 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.4 -30.9 57.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.943 -0.473 . . . . 0.0 110.946 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.87 -179.24 35.56 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 113.287 0.075 . . . . 0.0 113.287 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.03 149.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.065 0.546 . . . . 0.0 110.676 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.4 t -132.0 74.76 1.6 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.48 1.112 . . . . 0.0 108.444 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -117.81 4.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -173.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.13 8.9 44.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.909 0.484 . . . . 0.0 110.741 175.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.93 156.7 16.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.149 0.979 . . . . 0.0 110.33 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.01 113.23 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.703 1.201 . . . . 0.0 108.944 -168.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 120.86 29.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.545 1.138 . . . . 0.0 109.649 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.35 131.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.29 1.036 . . . . 0.0 109.967 -169.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.94 138.79 14.23 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.97 132.3 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.912 0.863 . . . . 0.0 109.314 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -131.33 79.68 1.9 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.388 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.13 156.27 72.33 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.744 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -57.84 155.35 33.2 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 121.697 1.598 . . . . 0.0 110.75 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -71.7 -0.69 11.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.971 -0.456 . . . . 0.0 112.057 171.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -25.82 67.31 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.158 1.383 . . . . 0.0 112.128 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.6 144.17 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.98 0.912 . . . . 0.0 110.528 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 142.49 28.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.511 0.672 . . . . 0.0 111.737 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.51 98.2 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.701 -166.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.48 158.33 43.94 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.865 -0.522 . . . . 0.0 111.968 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.3 ptt-85 -63.14 156.51 24.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.855 0.462 . . . . 0.0 111.27 169.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -39.33 73.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -173.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.93 -6.21 26.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.13 -50.93 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.941 0.896 . . . . 0.0 110.027 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -50.74 -36.89 38.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.647 1.179 . . . . 0.0 112.066 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.26 -21.59 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -78.99 -42.12 27.41 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.041 0.837 . . . . 0.0 110.3 169.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' B' ' 55' ' ' LEU . 96.7 mt -63.52 -38.89 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -81.49 5.07 18.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.8 -20.02 39.99 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 111.734 169.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 47.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.596 0 C-N-CA 123.467 0.556 . . . . 0.0 114.209 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.01 -176.4 2.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.614 0.707 . . . . 0.0 112.504 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.5 p -128.13 -177.88 4.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.029 1.332 . . . . 0.0 109.397 167.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 125.27 1.73 Allowed Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 124.217 1.007 . . . . 0.0 111.69 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.14 153.6 12.31 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.979 3.119 . . . . 0.0 113.15 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 169.727 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.3 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 105.9 15.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.426 1.09 . . . . 0.0 108.43 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.75 132.75 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.549 0.74 . . . . 0.0 109.22 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.92 134.95 51.4 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.494 0.718 . . . . 0.0 109.329 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -89.91 140.78 29.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.919 0.488 . . . . 0.0 110.025 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -146.11 124.01 12.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.555 -0.26 . . . . 0.0 110.558 -175.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.5 tptm -75.51 152.09 37.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.93 136.67 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 O-C-N 121.813 -0.555 . . . . 0.0 111.991 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.69 -4.26 83.58 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.764 1.173 . . . . 0.0 114.25 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -91.11 171.55 9.18 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.229 1.514 . . . . 0.0 111.975 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -128.91 158.12 39.69 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -167.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -139.8 160.04 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 127.907 2.483 . . . . 0.0 108.569 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.55 149.12 52.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.206 1.002 . . . . 0.0 112.475 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.64 143.43 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.811 1.244 . . . . 0.0 109.034 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 -142.34 42.86 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 123.955 0.788 . . . . 0.0 111.847 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -115.95 7.58 14.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.081 0.952 . . . . 0.0 111.285 169.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -131.76 -11.47 3.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -168.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.28 138.99 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.953 0.797 . . . . 0.0 111.231 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.8 m -124.46 138.06 54.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 109.333 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mm -118.16 137.02 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.566 1.146 . . . . 0.0 108.348 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -132.82 127.95 35.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.11 -0.369 . . . . 0.0 110.307 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -82.31 120.21 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -95.2 -38.89 10.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.11 178.76 44.27 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.272 -0.489 . . . . 0.0 113.972 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -114.6 152.32 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 C-N-CA 123.376 0.67 . . . . 0.0 109.92 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -151.51 101.37 2.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.69 -140.78 26.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.77 2.5 37.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.043 0.537 . . . . 0.0 111.509 168.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.43 146.85 25.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.075 0.95 . . . . 0.0 110.392 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 t -131.25 124.72 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm-85 -88.39 114.26 24.84 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.8 132.62 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.675 1.19 . . . . 0.0 109.326 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.29 134.52 11.89 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.986 0.803 . . . . 0.0 111.539 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.27 117.91 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.981 0.913 . . . . 0.0 108.959 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -119.03 92.77 3.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.998 0.519 . . . . 0.0 110.388 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.74 76.57 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 110.247 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.38 152.03 79.26 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.59 2.193 . . . . 0.0 111.125 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.95 -0.94 2.6 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 112.672 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.89 -22.27 66.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.218 1.007 . . . . 0.0 111.283 169.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.74 146.22 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.25 1.02 . . . . 0.0 110.417 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.93 156.57 23.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.441 0.296 . . . . 0.0 111.073 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.15 132.74 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.958 0.503 . . . . 0.0 109.834 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -154.8 167.56 29.84 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.724 0.81 . . . . 0.0 110.914 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 28.6 ptt-85 -88.66 157.48 18.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 166.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -57.8 -35.82 71.34 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -168.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.82 -19.1 63.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.098 0.959 . . . . 0.0 113.561 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.1 mm -96.12 -36.55 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.71 0.804 . . . . 0.0 110.72 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -52.32 -35.91 51.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.489 1.116 . . . . 0.0 112.707 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.76 -27.71 66.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.65 0.78 . . . . 0.0 112.57 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -68.7 -37.03 79.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 111.805 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.433 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.267 0 O-C-N 122.008 -0.433 . . . . 0.0 109.916 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.599 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.3 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.999 0.428 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.65 108.79 14.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.269 1.828 . . . . 0.0 107.347 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -91.92 138.85 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.414 1.086 . . . . 0.0 109.554 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.94 134.99 22.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.093 1.357 . . . . 0.0 109.249 -167.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 134.55 34.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.174 -0.329 . . . . 0.0 110.973 169.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -136.35 133.66 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.377 0.671 . . . . 0.0 110.378 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -79.98 157.06 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.053 0.541 . . . . 0.0 110.763 171.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -61.18 140.08 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 121.282 0.563 . . . . 0.0 111.811 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.83 -4.32 85.28 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.448 1.023 . . . . 0.0 113.96 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -91.54 174.53 7.32 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.03 1.415 . . . . 0.0 112.201 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -129.69 158.49 39.22 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -168.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 25.9 mt -140.3 159.25 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 127.805 2.442 . . . . 0.0 108.886 -175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -138.51 148.42 44.26 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 112.112 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -134.24 136.36 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.788 1.235 . . . . 0.0 109.07 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -137.17 50.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -124.04 8.35 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.945 0.898 . . . . 0.0 111.744 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -130.1 -11.78 4.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.87 136.23 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.825 0.738 . . . . 0.0 110.656 -172.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -121.38 145.17 48.17 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.269 1.027 . . . . 0.0 109.747 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -125.46 144.52 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.677 1.591 . . . . 0.0 107.779 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -137.71 133.38 34.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.921 -0.487 . . . . 0.0 109.952 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -88.99 93.7 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.6 -28.32 64.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.036 -0.415 . . . . 0.0 110.903 -172.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.2 -176.22 38.61 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.726 -0.273 . . . . 0.0 113.313 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.97 158.31 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.011 0.525 . . . . 0.0 110.839 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.06 77.55 1.53 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.735 0.814 . . . . 0.0 109.449 171.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.44 -115.22 3.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.424 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -96.96 -5.21 38.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.52 0.728 . . . . 0.0 110.44 171.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.24 159.66 29.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.648 0.737 . . . . 0.0 111.874 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.02 124.41 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.161 1.384 . . . . 0.0 108.299 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -82.79 118.79 23.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -120.46 115.18 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.036 0.934 . . . . 0.0 109.178 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.17 141.32 19.85 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.517 1.056 . . . . 0.0 110.603 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.2 mt -134.6 135.24 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.07 89.88 2.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.0 61.81 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.513 1.125 . . . . 0.0 109.455 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.61 149.7 88.68 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.947 1.765 . . . . 0.0 110.486 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -68.51 -1.01 5.73 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.737 -0.602 . . . . 0.0 112.539 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.26 -23.24 66.37 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.895 1.278 . . . . 0.0 111.574 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.37 160.04 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.115 0.966 . . . . 0.0 110.777 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.73 157.1 16.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.271 0.629 . . . . 0.0 112.361 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.78 125.3 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 167.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -147.73 165.19 31.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.343 0.657 . . . . 0.0 111.356 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -63.44 154.52 31.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.341 0.656 . . . . 0.0 109.433 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.98 -36.21 78.85 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 119.025 0.83 . . . . 0.0 111.02 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.9 -25.4 68.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.716 0.806 . . . . 0.0 112.746 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mm -95.5 -39.33 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.555 1.142 . . . . 0.0 111.212 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -46.79 -38.28 9.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.307 1.443 . . . . 0.0 111.728 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.19 -26.12 68.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.732 1.213 . . . . 0.0 113.665 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.26 -47.36 50.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.054 0.843 . . . . 0.0 109.846 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.532 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.1 mp . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 122.705 0.402 . . . . 0.0 110.234 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.287 0.565 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.09 139.66 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.899 1.28 . . . . 0.0 110.158 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 mt -135.13 164.95 26.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.48 107.17 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 166.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 129.81 56.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.899 1.68 . . . . 0.0 110.05 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.24 165.98 12.33 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.855 1.207 . . . . 0.0 112.743 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 m -59.49 137.1 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.646 -169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.45 83.5 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.064 0.84 . . . . 0.0 114.208 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -97.3 172.14 7.98 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.63 1.215 . . . . 0.0 111.376 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -135.55 158.92 43.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -169.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -137.5 156.96 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.989 2.115 . . . . 0.0 107.843 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -132.01 152.98 50.82 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.272 -0.893 . . . . 0.0 113.047 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.18 136.99 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.374 1.469 . . . . 0.0 109.323 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.49 -137.31 50.28 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -119.15 -4.26 10.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.742 0.817 . . . . 0.0 112.101 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -128.83 -3.24 5.24 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.24 131.25 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.878 0.763 . . . . 0.0 110.685 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -123.3 141.88 51.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.205 1.002 . . . . 0.0 109.387 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -118.69 138.63 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.849 1.259 . . . . 0.0 108.213 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -132.57 129.64 39.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.224 0.61 . . . . 0.0 109.898 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -85.13 103.58 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.53 -29.85 61.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.082 -0.387 . . . . 0.0 111.119 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.15 34.81 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 122.967 0.318 . . . . 0.0 113.705 170.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.47 154.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.714 0.806 . . . . 0.0 112.159 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -144.05 89.91 2.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.185 1.394 . . . . 0.0 108.697 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.03 -112.91 5.3 Favored Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.809 -0.557 . . . . 0.0 111.778 -175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -89.24 -22.38 22.76 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.559 0.68 . . . . 0.0 111.624 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.11 142.85 43.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.215 0.606 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.4 116.71 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -85.94 123.92 31.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.45 132.6 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.674 0.79 . . . . 0.0 110.06 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.0 139.12 14.24 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.324 0.964 . . . . 0.0 111.374 172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -128.76 108.89 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.104 1.361 . . . . 0.0 108.285 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -106.6 98.97 8.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.83 58.61 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.972 0.909 . . . . 0.0 109.389 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.68 150.99 58.14 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 121.902 1.735 . . . . 0.0 111.3 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -60.92 -8.06 2.87 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.443 1.097 . . . . 0.0 112.795 172.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.85 -28.03 69.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.73 2.012 . . . . 0.0 111.909 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.73 155.13 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.26 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.5 151.06 22.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 122.183 -0.323 . . . . 0.0 111.848 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.06 128.22 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.143 0.577 . . . . 0.0 110.338 169.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -150.44 172.77 14.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.976 0.91 . . . . 0.0 110.754 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -69.46 161.4 29.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.94 -29.4 70.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 122.164 -0.335 . . . . 0.0 111.64 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.45 -54.58 45.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.812 . . . . 0.0 110.99 170.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 mm -74.06 -34.16 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.451 0.7 . . . . 0.0 110.084 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 124.914 1.286 . . . . 0.0 112.82 178.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.0 145.87 29.52 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.773 0.429 . . . . 0.0 111.062 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.05 135.59 63.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.92 165.0 24.88 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.852 1.261 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 100.66 6.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 168.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.02 130.57 53.2 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.465 1.506 . . . . 0.0 110.384 -174.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.65 165.01 12.73 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.613 1.097 . . . . 0.0 112.8 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -58.81 136.96 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.578 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 -5.74 82.06 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.26 0.933 . . . . 0.0 114.065 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -95.07 169.57 10.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.623 1.212 . . . . 0.0 111.395 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 55.8 m -135.47 159.93 40.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -139.95 158.87 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.849 2.059 . . . . 0.0 107.954 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -136.87 151.37 49.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.469 -0.769 . . . . 0.0 112.596 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.04 140.89 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.725 1.21 . . . . 0.0 109.241 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.11 -133.36 48.94 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.37 10.12 7.32 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.18 0.992 . . . . 0.0 111.837 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.32 -16.29 1.22 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -171.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -104.43 136.5 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.04 0.836 . . . . 0.0 110.553 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -127.6 142.94 51.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.349 1.06 . . . . 0.0 110.31 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.69 140.45 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.492 1.517 . . . . 0.0 108.264 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -134.73 130.11 35.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.986 0.515 . . . . 0.0 109.815 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -82.26 110.25 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.19 -27.71 29.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.26 -175.01 33.35 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.401 0.524 . . . . 0.0 113.4 169.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.04 152.37 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.557 0.743 . . . . 0.0 111.897 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -141.86 89.98 2.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.163 1.385 . . . . 0.0 108.634 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.36 -110.86 3.75 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.06 -22.83 20.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.565 0.682 . . . . 0.0 111.822 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -73.84 141.9 46.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.053 0.541 . . . . 0.0 109.864 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.67 116.51 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -86.02 125.45 33.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.73 138.75 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.025 0.93 . . . . 0.0 109.793 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.38 143.33 16.86 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 mt -130.82 132.83 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.654 1.181 . . . . 0.0 109.438 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -127.62 112.08 14.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.01 0.924 . . . . 0.0 109.048 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.72 157.89 75.27 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.635 0.774 . . . . 0.0 111.325 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.26 160.7 40.99 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.935 2.423 . . . . 0.0 112.171 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -64.4 -12.24 41.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.61 -15.29 61.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.807 1.243 . . . . 0.0 112.473 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.11 163.49 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.839 0.856 . . . . 0.0 111.062 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.02 161.41 14.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.155 0.582 . . . . 0.0 111.409 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.02 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.296 0.638 . . . . 0.0 110.192 170.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -154.99 169.09 24.89 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.922 0.889 . . . . 0.0 110.528 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -75.15 162.46 28.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.948 -0.47 . . . . 0.0 109.775 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -22.69 65.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -172.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.48 -43.14 97.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.82 0.848 . . . . 0.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -86.75 -37.17 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.18 0.592 . . . . 0.0 109.746 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 123.52 0.728 . . . . 0.0 112.609 -178.005 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 112.2 24.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.285 0.948 . . . . 0.0 110.047 -173.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.16 137.46 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.261 1.024 . . . . 0.0 109.104 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -132.83 151.78 51.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.885 0.874 . . . . 0.0 109.682 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -111.84 100.95 9.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.86 140.97 41.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.473 0.709 . . . . 0.0 110.343 -169.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -106.22 155.37 19.54 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -49.62 125.05 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.296 0.638 . . . . 0.0 110.777 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.52 63.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.367 0.984 . . . . 0.0 114.445 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -99.27 168.52 9.97 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.7 1.25 . . . . 0.0 111.651 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -135.22 150.03 50.01 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 9.9 mm -108.41 155.99 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.641 1.576 . . . . 0.0 109.547 168.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -127.38 138.54 53.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.44 1.096 . . . . 0.0 110.202 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -133.76 131.0 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 0.0 109.579 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.92 -126.99 24.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -130.03 2.08 4.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.654 0.782 . . . . 0.0 112.365 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -135.55 -22.65 1.47 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mt -101.12 140.14 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.428 0.691 . . . . 0.0 110.33 -172.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -137.13 145.21 43.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.802 0.841 . . . . 0.0 109.154 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.85 141.65 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.49 1.116 . . . . 0.0 108.193 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -137.82 133.55 34.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.516 0.598 . . . . 0.0 110.178 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.88 101.99 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 169.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.89 -26.71 57.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.901 -0.499 . . . . 0.0 110.387 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.37 39.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 167.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.45 145.55 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.466 1.107 . . . . 0.0 111.257 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -138.29 63.88 1.52 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.948 1.299 . . . . 0.0 110.175 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.21 -122.43 6.5 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -173.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.97 -7.87 59.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.267 0.627 . . . . 0.0 112.37 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -106.63 154.33 21.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.863 0.865 . . . . 0.0 112.482 172.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -136.86 123.44 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.494 1.518 . . . . 0.0 110.168 -168.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -87.41 101.97 14.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.639 1.176 . . . . 0.0 112.108 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.28 134.63 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.275 1.43 . . . . 0.0 109.213 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.01 139.75 15.36 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.079 0.847 . . . . 0.0 111.685 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.0 mt -113.6 134.47 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.287 1.435 . . . . 0.0 108.356 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -124.56 74.99 1.37 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.175 0.99 . . . . 0.0 109.351 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.86 40.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.804 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.3 155.06 56.33 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.447 2.098 . . . . 0.0 110.499 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -68.23 -1.47 6.23 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.16 -30.97 71.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.965 0.906 . . . . 0.0 111.487 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.95 144.05 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 123.743 0.817 . . . . 0.0 111.324 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.76 143.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.928 0.891 . . . . 0.0 110.855 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.69 128.71 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 118.117 0.417 . . . . 0.0 110.648 173.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -153.54 -176.0 5.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.596 1.159 . . . . 0.0 109.933 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 169.7 12.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.41 -39.24 82.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -168.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.08 -7.14 44.44 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.11 -28.74 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.784 1.234 . . . . 0.0 110.701 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 O-C-N 121.342 -0.849 . . . . 0.0 110.646 -172.732 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.09 118.7 35.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.993 1.317 . . . . 0.0 107.68 169.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.6 mt -116.08 137.44 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.938 0.495 . . . . 0.0 112.072 -165.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.99 137.68 41.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.038 1.335 . . . . 0.0 110.694 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -116.35 101.02 8.3 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -128.57 153.41 47.25 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.107 0.963 . . . . 0.0 112.125 -168.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -82.34 155.44 24.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.177 0.991 . . . . 0.0 110.418 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.64 134.7 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 121.058 0.456 . . . . 0.0 110.53 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.72 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.698 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.01 156.65 21.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.094 1.447 . . . . 0.0 112.531 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -121.4 146.58 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.401 1.08 . . . . 0.0 111.497 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.9 mt -136.82 153.41 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.6 1.56 . . . . 0.0 109.106 -169.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.35 143.6 42.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 O-C-N 121.56 -0.713 . . . . 0.0 112.772 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.28 130.67 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.51 1.124 . . . . 0.0 109.834 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -137.78 49.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 -1.13 10.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.635 0.774 . . . . 0.0 112.288 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.59 -20.56 10.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.516 0.726 . . . . 0.0 112.921 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.74 135.02 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -130.8 149.41 52.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 109.807 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -128.98 147.48 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 126.262 1.825 . . . . 0.0 107.903 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -141.69 130.95 23.51 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.001 -0.437 . . . . 0.0 110.231 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.26 104.72 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.56 -29.87 52.38 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.982 -0.449 . . . . 0.0 110.668 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.35 -178.86 35.31 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 122.681 0.181 . . . . 0.0 113.15 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.44 152.62 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.088 0.555 . . . . 0.0 110.808 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -135.32 78.59 1.74 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.745 1.218 . . . . 0.0 108.911 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.48 -117.2 4.46 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.43 7.36 42.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.229 0.612 . . . . 0.0 111.037 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -98.94 154.21 18.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.088 0.955 . . . . 0.0 110.304 170.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -141.32 115.66 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.149 0.58 . . . . 0.0 109.485 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -82.16 117.66 22.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.115 0.966 . . . . 0.0 109.466 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.42 131.59 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 109.956 -172.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.62 143.29 16.43 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 123.439 0.543 . . . . 0.0 112.02 172.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.46 129.78 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.04 0.936 . . . . 0.0 109.269 173.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -132.15 74.99 1.61 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.261 -168.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.53 157.75 45.03 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.344 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -59.68 156.61 36.43 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.697 1.598 . . . . 0.0 110.179 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -0.93 18.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.72 0.771 . . . . 0.0 111.178 176.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.84 -23.1 66.6 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.837 1.655 . . . . 0.0 111.755 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.25 144.12 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.271 1.029 . . . . 0.0 109.985 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.21 142.26 29.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.601 0.715 . . . . 0.0 111.661 170.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 t -142.65 96.14 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.79 -166.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.64 159.15 43.81 Favored 'General case' 0 N--CA 1.457 -0.087 0 O-C-N 121.938 -0.476 . . . . 0.0 111.912 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.0 ptt-85 -67.78 159.94 29.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.98 0.512 . . . . 0.0 111.924 171.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -56.87 -40.28 75.89 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.274 0.63 . . . . 0.0 112.488 -171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.75 -11.88 59.35 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.16 -50.55 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 110.204 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -50.51 -37.05 36.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.794 1.238 . . . . 0.0 111.977 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.11 -21.73 62.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.5 mpt_? -79.0 -41.07 29.87 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.317 0.962 . . . . 0.0 110.091 169.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.2 -39.73 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -81.23 4.9 18.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.37 -19.3 46.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.178 0.591 . . . . 0.0 111.455 168.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.3 48.45 0.09 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 123.558 0.599 . . . . 0.0 113.883 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.0 -176.37 2.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 117.677 0.738 . . . . 0.0 112.55 -168.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -128.67 -178.35 4.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.232 1.413 . . . . 0.0 109.575 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.87 121.16 2.32 Favored Pre-proline 0 N--CA 1.454 -0.255 0 C-N-CA 124.102 0.961 . . . . 0.0 111.325 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -57.03 137.61 82.68 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.041 2.494 . . . . 0.0 113.204 -169.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.455 -0.213 0 C-N-CA 125.231 1.412 . . . . 0.0 113.397 172.74 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 110.57 20.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 165.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.2 134.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.128 0.971 . . . . 0.0 109.795 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.83 134.99 48.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.084 0.953 . . . . 0.0 109.554 169.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 62.9 p -92.98 140.74 29.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.782 0.433 . . . . 0.0 110.917 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -139.25 132.04 29.14 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.662 0.785 . . . . 0.0 110.348 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -75.94 153.55 36.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 168.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.78 135.32 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 121.257 -0.902 . . . . 0.0 111.735 -174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -4.09 81.7 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.714 1.15 . . . . 0.0 114.237 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -85.94 174.37 9.3 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.33 1.565 . . . . 0.0 112.578 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -133.86 157.58 45.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -167.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -141.23 153.38 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 128.046 2.538 . . . . 0.0 108.049 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -131.14 147.67 52.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.29 -0.882 . . . . 0.0 111.975 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -133.9 136.95 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.698 1.199 . . . . 0.0 108.869 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -141.09 42.14 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 123.614 0.626 . . . . 0.0 111.717 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -116.87 7.08 13.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.997 0.919 . . . . 0.0 111.421 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.28 -12.39 5.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.085 0.954 . . . . 0.0 113.306 -169.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.85 138.68 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 118.714 0.688 . . . . 0.0 110.969 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -127.41 138.94 53.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.678 1.191 . . . . 0.0 109.347 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -122.06 142.36 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.693 1.197 . . . . 0.0 108.39 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.08 130.0 28.47 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.852 -0.53 . . . . 0.0 110.787 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.35 117.15 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.0 -37.73 14.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.04 -0.412 . . . . 0.0 109.907 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.67 -177.88 43.54 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.537 -0.363 . . . . 0.0 113.686 169.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.88 154.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.485 0.714 . . . . 0.0 110.357 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.0 p -148.37 100.18 3.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.091 0.956 . . . . 0.0 109.016 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.72 -126.0 20.67 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.31 1.41 54.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.824 0.85 . . . . 0.0 112.036 173.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -87.88 155.51 19.83 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.514 0.726 . . . . 0.0 110.715 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.9 120.01 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.453 1.101 . . . . 0.0 108.546 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -81.24 113.28 19.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -118.19 130.11 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.789 1.236 . . . . 0.0 109.5 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.93 15.32 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.049 0.833 . . . . 0.0 111.915 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.2 mt -127.01 116.75 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 124.907 1.283 . . . . 0.0 108.783 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -116.06 98.06 6.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.504 0.722 . . . . 0.0 109.768 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.61 78.33 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.433 1.093 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -62.04 152.64 74.2 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.489 2.126 . . . . 0.0 111.161 171.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.65 -1.0 2.36 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.495 0.718 . . . . 0.0 112.523 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.78 -22.77 66.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.453 1.101 . . . . 0.0 111.505 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.19 144.65 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.117 0.967 . . . . 0.0 110.535 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.41 154.8 21.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.704 0.402 . . . . 0.0 110.887 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.41 129.81 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 C-N-CA 122.947 0.499 . . . . 0.0 109.829 173.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -156.25 160.22 39.59 Favored 'General case' 0 CA--C 1.524 -0.047 0 C-N-CA 123.237 0.615 . . . . 0.0 111.631 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -74.82 160.47 30.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 166.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.8 -33.23 72.68 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.277 0.631 . . . . 0.0 112.181 -169.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.31 -42.48 77.69 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 111.761 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -93.44 -30.16 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.542 0.737 . . . . 0.0 110.907 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.27 -36.07 40.43 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.732 0.813 . . . . 0.0 112.263 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -59.75 -31.83 70.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.595 0.758 . . . . 0.0 112.316 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -69.05 -37.48 78.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.41 0.684 . . . . 0.0 111.739 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.454 -0.254 0 O-C-N 122.057 -0.402 . . . . 0.0 110.199 178.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.418 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -106.01 118.48 36.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.701 1.2 . . . . 0.0 109.342 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.418 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.4 mp -102.78 135.26 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.789 1.235 . . . . 0.0 108.906 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.6 134.96 27.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.762 1.225 . . . . 0.0 108.415 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 109.94 20.92 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -170.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.85 130.54 56.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.083 -0.386 . . . . 0.0 111.255 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.78 151.94 45.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.126 0.489 . . . . 0.0 110.576 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -57.85 137.07 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.318 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.06 86.88 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.999 -0.889 . . . . 0.0 114.129 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -94.3 171.46 8.81 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.014 1.407 . . . . 0.0 111.859 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 158.41 38.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -168.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mt -139.06 157.96 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 127.143 2.177 . . . . 0.0 108.414 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -131.91 152.76 50.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.004 0.921 . . . . 0.0 111.573 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.73 134.51 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.077 1.351 . . . . 0.0 109.278 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -137.16 50.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -122.56 7.42 9.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.969 0.908 . . . . 0.0 111.861 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -133.14 -13.3 2.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.38 133.75 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 118.832 0.742 . . . . 0.0 110.638 -172.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 14.5 m -116.17 148.63 40.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.086 0.954 . . . . 0.0 109.847 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -129.64 143.51 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 125.858 1.663 . . . . 0.0 107.807 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -139.09 133.04 31.01 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 121.779 -0.576 . . . . 0.0 110.008 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -88.66 94.53 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.42 -30.59 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.862 -0.524 . . . . 0.0 110.963 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.76 -175.17 39.17 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.7 -0.286 . . . . 0.0 113.437 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 m -108.64 157.49 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.486 0.714 . . . . 0.0 111.003 170.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.6 80.16 1.65 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.376 1.07 . . . . 0.0 109.298 170.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.51 -118.06 4.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.91 -7.12 40.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.398 0.679 . . . . 0.0 110.685 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -79.69 156.63 27.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.141 0.576 . . . . 0.0 110.828 173.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -136.37 124.46 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.012 0.925 . . . . 0.0 108.821 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.45 113.05 18.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.54 121.96 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.728 0.811 . . . . 0.0 109.075 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.54 136.68 12.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.64 142.17 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 108.698 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.437 0.695 . . . . 0.0 109.225 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.24 157.85 52.29 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.648 1.179 . . . . 0.0 109.826 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.88 150.21 89.07 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.009 1.806 . . . . 0.0 110.332 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.36 -1.65 6.83 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.95 -23.52 66.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.91 1.284 . . . . 0.0 111.698 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.4 159.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.219 1.008 . . . . 0.0 111.135 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.41 157.05 16.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.616 0.767 . . . . 0.0 112.707 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -152.79 121.67 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 122.865 0.466 . . . . 0.0 110.224 167.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -147.77 172.2 14.48 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.821 0.849 . . . . 0.0 111.54 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -71.71 157.43 37.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.861 0.464 . . . . 0.0 110.203 168.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.89 -35.43 76.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.281 0.632 . . . . 0.0 111.548 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.92 -28.3 68.18 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.407 0.683 . . . . 0.0 112.66 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.43 -37.05 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.698 1.199 . . . . 0.0 110.621 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.51 -41.66 66.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 110.829 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.16 -26.24 68.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -74.62 -38.74 62.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 123.637 0.775 . . . . 0.0 110.974 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.128 0.489 . . . . 0.0 109.773 -177.367 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.23 137.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.969 0.908 . . . . 0.0 109.581 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -138.53 164.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.236 1.414 . . . . 0.0 111.136 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -133.23 107.02 7.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.7 mmp_? -119.07 139.57 51.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.086 1.354 . . . . 0.0 110.507 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -96.98 169.57 9.74 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 m -60.21 138.22 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.48 84.57 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 124.071 0.844 . . . . 0.0 114.335 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -94.75 169.33 10.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.585 1.193 . . . . 0.0 111.461 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -133.14 156.73 46.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -169.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' E' ' 6' ' ' ARG . 46.3 mt -140.38 153.23 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 126.321 1.848 . . . . 0.0 107.905 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.76 150.77 51.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.587 -0.696 . . . . 0.0 112.608 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.72 136.97 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.986 1.315 . . . . 0.0 109.597 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.76 49.31 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -124.36 8.93 8.46 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.802 0.841 . . . . 0.0 111.961 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -136.76 -6.73 1.91 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -170.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.57 132.64 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-N 118.912 0.778 . . . . 0.0 110.639 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.0 m -127.75 142.59 51.27 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 110.157 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -122.07 141.17 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.483 1.513 . . . . 0.0 108.24 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 45.7 m -137.3 128.5 27.86 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.019 0.528 . . . . 0.0 110.023 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.59 109.95 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.9 -31.17 56.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.624 0.37 . . . . 0.0 110.746 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -173.26 34.68 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.24 0.448 . . . . 0.0 113.359 169.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.46 159.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 123.41 0.684 . . . . 0.0 112.413 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.98 91.26 1.76 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.962 1.305 . . . . 0.0 109.066 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.21 -116.45 6.25 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 121.705 -0.622 . . . . 0.0 111.789 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -88.87 -18.97 26.48 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.593 0.697 . . . . 0.0 111.295 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -78.29 146.59 34.72 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.983 0.897 . . . . 0.0 110.73 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -140.99 113.21 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -87.16 123.32 32.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -129.86 134.17 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.43 0.692 . . . . 0.0 110.614 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.58 140.96 15.17 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.275 0.94 . . . . 0.0 111.578 171.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.34 124.31 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.822 1.249 . . . . 0.0 109.033 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -122.98 100.14 6.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.325 0.65 . . . . 0.0 109.654 -172.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.58 71.9 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.206 1.002 . . . . 0.0 110.814 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.65 159.24 41.99 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.161 2.574 . . . . 0.0 112.159 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -72.95 -0.9 14.97 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 171.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.15 -21.85 66.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.307 1.043 . . . . 0.0 111.44 168.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.82 159.42 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.265 1.026 . . . . 0.0 110.69 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.38 157.22 16.0 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.099 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.06 125.91 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.376 0.67 . . . . 0.0 109.702 169.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -147.58 165.99 28.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.872 0.869 . . . . 0.0 110.066 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -66.42 156.68 33.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.25 -19.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.988 -0.445 . . . . 0.0 111.403 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.81 -46.92 88.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.374 1.069 . . . . 0.0 111.477 168.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 mm -83.76 -34.79 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.308 1.043 . . . . 0.0 110.412 -170.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 124.946 1.299 . . . . 0.0 113.098 179.651 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.796 -0.076 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.9 147.21 23.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.113 -0.367 . . . . 0.0 111.521 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 135.4 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 124.049 0.94 . . . . 0.0 108.495 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -134.62 163.36 29.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.167 0.987 . . . . 0.0 109.259 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -131.59 96.94 4.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 109.453 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' F' ' 12' ' ' ILE . 9.1 ttp180 -104.99 162.13 13.62 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.995 1.318 . . . . 0.0 110.603 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -119.46 168.43 10.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 m -54.98 134.91 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.568 -170.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 -9.35 72.21 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.292 0.949 . . . . 0.0 114.643 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.17 175.63 6.87 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.25 1.525 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -141.07 163.98 31.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HD3' ' F' ' 6' ' ' ARG . 20.5 mt -149.88 153.72 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.82 2.448 . . . . 0.0 107.748 -171.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -127.61 152.43 47.66 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.901 0.88 . . . . 0.0 112.462 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.04 141.79 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.512 1.125 . . . . 0.0 109.083 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.44 49.47 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -122.27 9.96 9.87 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 112.017 172.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.74 -14.38 1.23 Allowed 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.95 139.95 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 119.152 0.887 . . . . 0.0 110.827 -172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.4 143.78 51.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.349 1.06 . . . . 0.0 110.229 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -126.64 137.0 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.585 1.554 . . . . 0.0 108.658 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -136.62 129.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.624 0.77 . . . . 0.0 110.411 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.03 109.71 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 173.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 23' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' F' ' 31' ' ' ARG . 28.7 mt -82.53 -31.97 28.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.021 0.529 . . . . 0.0 110.881 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -174.95 35.88 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.617 0.627 . . . . 0.0 113.083 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.89 153.3 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.426 0.69 . . . . 0.0 112.077 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.11 89.92 2.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.273 1.429 . . . . 0.0 109.031 169.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.42 -106.05 1.69 Allowed Glycine 0 CA--C 1.525 0.697 0 O-C-N 121.814 -0.554 . . . . 0.0 111.962 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -95.99 -21.94 17.7 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.547 0.673 . . . . 0.0 111.93 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.61 143.22 48.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.22 0.533 . . . . 0.0 110.001 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.53 116.46 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' F' ' 23' ' ' LEU . 22.3 ttm180 -87.02 127.73 35.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.2 141.17 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.492 -168.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.01 139.94 15.12 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 124.088 0.851 . . . . 0.0 111.148 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.11 143.13 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.756 1.223 . . . . 0.0 109.202 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -131.41 109.76 10.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.156 0.982 . . . . 0.0 108.978 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.07 157.13 78.37 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.829 0.852 . . . . 0.0 111.484 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.99 162.35 32.92 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.053 2.502 . . . . 0.0 112.192 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.78 -4.86 30.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.453 0.701 . . . . 0.0 112.674 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.79 -20.21 64.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.572 1.149 . . . . 0.0 112.432 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -128.39 164.64 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.896 0.879 . . . . 0.0 110.949 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.24 161.68 13.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.44 0.696 . . . . 0.0 111.209 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.79 124.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.384 0.673 . . . . 0.0 110.411 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -152.65 174.86 13.45 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 110.596 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -72.02 161.88 30.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.01 -28.45 69.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.005 -0.435 . . . . 0.0 112.094 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -42.66 81.27 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.461 1.104 . . . . 0.0 111.944 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.95 -31.54 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 110.639 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 112.855 177.676 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.8 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 105.77 17.97 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.505 0.722 . . . . 0.0 109.079 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.29 135.52 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.655 0.782 . . . . 0.0 109.041 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.8 mt -128.88 162.02 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.191 0.996 . . . . 0.0 109.611 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.7 m -124.28 105.76 9.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -95.83 165.91 12.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.385 1.074 . . . . 0.0 108.801 -169.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.28 151.2 51.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.2 t -48.31 121.35 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.94 -175.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.88 -7.65 55.37 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.234 1.397 . . . . 0.0 114.663 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -80.22 149.83 30.3 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.932 1.366 . . . . 0.0 112.282 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 m -124.97 142.7 51.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.574 0.75 . . . . 0.0 112.588 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 44' ' ' ARG . 36.3 mm -122.74 155.47 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.496 1.919 . . . . 0.0 108.514 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -130.16 135.23 47.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.602 1.161 . . . . 0.0 109.422 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.21 133.86 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.778 0.831 . . . . 0.0 109.325 -173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -127.57 33.09 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.01 0.09 5.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.746 0.819 . . . . 0.0 112.53 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -134.18 -14.13 2.35 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.6 mt -108.38 138.9 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.589 0.755 . . . . 0.0 110.463 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -135.56 143.62 45.77 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.164 0.986 . . . . 0.0 109.601 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -127.48 138.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.544 1.138 . . . . 0.0 108.797 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -133.62 137.22 45.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.643 0.777 . . . . 0.0 110.374 -176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -91.11 103.47 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.76 -27.23 50.28 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.876 -0.515 . . . . 0.0 110.495 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.86 -168.61 40.82 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 117.667 0.212 . . . . 0.0 113.61 169.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.83 145.18 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.955 0.902 . . . . 0.0 110.58 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -136.98 65.93 1.49 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.1 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -117.95 6.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -86.95 -5.05 59.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 112.546 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -108.22 153.52 23.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.666 0.746 . . . . 0.0 112.732 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -125.47 131.87 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 126.247 1.819 . . . . 0.0 108.473 -172.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -104.64 102.03 11.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.451 0.7 . . . . 0.0 110.274 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -109.3 137.63 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 109.891 -174.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 140.3 16.02 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.253 0.93 . . . . 0.0 111.702 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.46 138.77 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.321 1.448 . . . . 0.0 108.269 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -126.95 75.53 1.58 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.618 1.167 . . . . 0.0 109.3 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.38 154.1 46.47 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.238 1.415 . . . . 0.0 110.691 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.03 154.08 57.69 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.48 2.12 . . . . 0.0 110.606 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.25 -6.38 18.07 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.75 -25.68 65.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.037 0.935 . . . . 0.0 112.255 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.73 144.0 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.873 0.844 . . . . 0.0 112.033 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.1 36.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.793 1.237 . . . . 0.0 111.567 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -130.21 120.36 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.421 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -148.94 158.79 44.44 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.015 0.526 . . . . 0.0 111.932 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.15 166.11 23.99 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.296 0.638 . . . . 0.0 110.612 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -62.09 -41.27 98.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.566 -0.709 . . . . 0.0 112.472 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -76.95 2.89 13.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.08 -11.18 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.481 1.112 . . . . 0.0 111.184 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.45 -0.457 0 O-C-N 120.303 -1.498 . . . . 0.0 110.53 169.639 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.5 120.86 41.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.377 1.471 . . . . 0.0 107.314 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.6 mt -119.06 137.31 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -164.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -142.26 150.4 40.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.529 1.132 . . . . 0.0 111.436 -169.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -101.81 134.17 45.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.0 123.83 35.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.498 1.119 . . . . 0.0 109.919 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -73.72 155.99 38.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.129 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -59.6 126.83 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -6.75 61.72 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 118.894 -0.948 . . . . 0.0 115.023 -173.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -88.94 169.65 11.36 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.311 1.556 . . . . 0.0 111.913 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -140.99 158.78 43.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -168.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mm -133.82 154.26 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.344 2.258 . . . . 0.0 108.691 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -133.22 139.5 47.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.555 1.142 . . . . 0.0 110.426 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -131.27 134.39 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.974 0.91 . . . . 0.0 109.879 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -135.58 50.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -122.14 4.93 9.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.815 0.846 . . . . 0.0 112.049 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -125.82 -17.45 5.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.1 138.15 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 118.84 0.745 . . . . 0.0 110.827 -169.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -136.46 149.76 48.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.808 1.243 . . . . 0.0 109.94 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -130.94 143.73 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.877 1.671 . . . . 0.0 108.456 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -141.07 126.1 18.3 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.172 0.589 . . . . 0.0 110.708 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -77.92 117.93 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.76 -32.16 21.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.166 -0.334 . . . . 0.0 110.967 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.43 173.34 31.0 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 122.518 0.104 . . . . 0.0 113.124 171.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.2 153.66 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.129 0.49 . . . . 0.0 110.903 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -137.4 76.17 1.57 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.768 1.227 . . . . 0.0 109.123 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.74 -116.97 4.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.06 9.05 40.64 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.226 0.611 . . . . 0.0 111.401 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.89 152.18 20.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.597 1.159 . . . . 0.0 109.914 169.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.71 111.94 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.434 0.694 . . . . 0.0 110.108 -168.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.0 119.67 27.45 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.508 1.123 . . . . 0.0 110.245 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.42 136.47 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 124.015 0.926 . . . . 0.0 110.619 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.15 142.78 16.19 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 123.325 0.488 . . . . 0.0 112.303 169.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.79 134.0 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.835 0.854 . . . . 0.0 109.56 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -133.08 74.92 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.53 -168.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.59 156.73 51.09 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.085 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.77 152.45 42.2 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.648 1.566 . . . . 0.0 110.319 169.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -65.67 -0.71 2.24 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.437 0.695 . . . . 0.0 111.998 171.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.94 -30.96 71.62 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 112.022 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -104.96 144.13 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.499 1.12 . . . . 0.0 110.616 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.48 141.76 30.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.469 0.652 . . . . 0.0 111.863 169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.9 97.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.825 -166.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.5 158.74 44.12 Favored 'General case' 0 C--N 1.337 0.032 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -63.08 155.81 26.73 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.156 0.983 . . . . 0.0 111.903 169.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.04 -43.77 63.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.824 0.85 . . . . 0.0 112.091 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.97 -12.08 52.4 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -98.51 -49.59 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.147 0.979 . . . . 0.0 110.292 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.36 -37.02 34.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.213 1.405 . . . . 0.0 112.181 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -69.81 -23.6 63.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.6 mpt_? -79.03 -38.48 36.46 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.981 0.81 . . . . 0.0 110.551 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.0 mt -65.02 -41.06 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -79.55 5.13 13.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.39 -17.92 47.32 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.025 0.53 . . . . 0.0 111.863 169.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.361 -0.688 . . . . 0.0 114.58 169.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.0 -175.8 2.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.986 0.893 . . . . 0.0 112.865 -168.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.2 p -125.98 176.78 6.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.408 1.483 . . . . 0.0 109.174 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -37.94 119.1 0.96 Allowed Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.647 1.179 . . . . 0.0 112.008 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 46.0 Cg_exo -67.53 175.94 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.228 1.952 . . . . 0.0 113.308 -171.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.453 -0.289 0 C-N-CA 123.93 0.892 . . . . 0.0 112.419 173.14 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.87 107.14 16.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 166.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.64 134.35 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 123.861 0.864 . . . . 0.0 109.523 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.08 135.26 47.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.475 1.11 . . . . 0.0 109.668 169.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 34.0 p -94.17 147.14 23.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.21 0.529 . . . . 0.0 110.863 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -137.37 145.08 42.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.537 0.735 . . . . 0.0 110.027 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 4.4 tptm -83.32 155.41 23.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 168.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.85 130.82 22.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 118.996 0.816 . . . . 0.0 111.519 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 -4.93 79.26 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.608 1.099 . . . . 0.0 114.095 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.65 170.58 11.69 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.127 1.464 . . . . 0.0 111.895 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -132.96 158.23 43.18 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -167.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.78 159.03 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 127.209 2.204 . . . . 0.0 108.102 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -126.32 143.46 51.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.71 0.804 . . . . 0.0 111.235 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.03 151.49 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' C' ' 17' ' ' ASP . . . 8.23 121.8 0.0 OUTLIER Glycine 0 C--N 1.34 0.805 0 C-N-CA 128.212 2.815 . . . . 0.0 110.438 -174.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -53.62 9.99 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 -155.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' C' ' 15' ' ' GLY . 36.9 m-20 -94.69 -16.04 23.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.795 1.638 . . . . 0.0 111.588 162.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.35 141.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 121.083 1.765 . . . . 0.0 112.795 -171.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -124.88 146.34 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.753 1.221 . . . . 0.0 109.594 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -127.43 145.97 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.333 1.453 . . . . 0.0 108.474 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.97 139.86 38.05 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.966 0.506 . . . . 0.0 110.143 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.452 HD13 ' N ' ' C' ' 23' ' ' LEU . 0.0 OUTLIER -97.18 117.67 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 168.067 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.452 ' N ' HD13 ' C' ' 22' ' ' ILE . 8.9 mt -87.37 -47.2 8.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.81 -0.556 . . . . 0.0 109.967 -170.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.76 175.5 46.56 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.392 168.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.0 149.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.309 0.644 . . . . 0.0 110.642 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -142.56 97.7 3.16 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.391 1.076 . . . . 0.0 108.444 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.43 -128.49 15.75 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -169.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -93.46 1.55 56.79 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.871 0.868 . . . . 0.0 112.116 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.71 153.05 22.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.648 0.779 . . . . 0.0 110.729 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.77 127.15 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.081 0.952 . . . . 0.0 109.249 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -85.58 117.91 24.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.14 129.87 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.817 1.247 . . . . 0.0 109.259 -172.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.79 140.17 14.92 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.103 1.335 . . . . 0.0 111.848 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.4 mt -133.65 132.82 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -138.05 90.01 2.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.972 0.415 . . . . 0.0 110.498 -172.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.07 156.42 79.21 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.537 1.135 . . . . 0.0 110.26 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.32 151.67 83.73 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.567 2.178 . . . . 0.0 110.946 170.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.02 -0.94 2.65 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.381 0.672 . . . . 0.0 112.671 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.92 -22.0 66.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.404 1.082 . . . . 0.0 111.319 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.14 148.71 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 124.29 1.036 . . . . 0.0 110.643 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.78 157.01 21.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.794 0.438 . . . . 0.0 111.464 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.66 132.56 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 169.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -154.51 165.24 37.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.841 0.856 . . . . 0.0 111.029 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' D' ' 6' ' ' ARG . 0.7 OUTLIER -80.14 159.11 26.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 166.461 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.03 -27.08 68.87 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.488 0.586 . . . . 0.0 111.745 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.29 -27.94 66.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.319 0.647 . . . . 0.0 112.713 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.7 -37.06 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.629 0.772 . . . . 0.0 110.489 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -52.2 -36.42 52.0 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.25 1.02 . . . . 0.0 112.53 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.62 -28.71 67.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 112.274 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.34 -38.54 71.64 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.628 0.771 . . . . 0.0 111.983 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 110.128 -179.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.9 mmm . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.2 111.08 10.58 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.791 2.036 . . . . 0.0 106.738 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -103.65 139.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.144 0.977 . . . . 0.0 109.839 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -127.6 166.37 18.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.777 1.231 . . . . 0.0 111.709 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.59 110.01 12.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.305 1.442 . . . . 0.0 108.169 168.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' C' ' 44' ' ' ARG . 1.7 mmp_? -122.98 143.64 49.78 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.772 0.429 . . . . 0.0 110.154 172.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -77.4 160.47 28.73 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.261 0.553 . . . . 0.0 110.044 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -55.41 138.14 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.486 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.67 -2.36 86.01 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.987 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.12 165.61 12.33 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.853 1.327 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -123.48 161.28 25.17 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -168.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -150.29 160.8 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 127.19 2.196 . . . . 0.0 108.951 -167.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -142.65 152.98 43.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.72 142.27 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.045 1.338 . . . . 0.0 109.167 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -139.31 48.66 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 123.553 0.597 . . . . 0.0 111.721 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -120.54 8.71 10.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.914 0.886 . . . . 0.0 111.903 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.02 -10.84 2.27 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.09 137.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.774 0.715 . . . . 0.0 110.482 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -121.68 145.94 47.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.443 1.097 . . . . 0.0 109.6 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.91 143.23 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.305 1.442 . . . . 0.0 107.849 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -139.59 135.19 33.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.655 -0.653 . . . . 0.0 110.026 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -89.65 105.84 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 mt -79.4 -30.42 42.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.062 0.545 . . . . 0.0 110.831 -171.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.02 -172.68 40.75 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 117.431 0.105 . . . . 0.0 113.035 170.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.72 160.74 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.401 0.68 . . . . 0.0 110.54 169.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.57 76.07 1.46 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.779 0.832 . . . . 0.0 109.283 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -115.5 4.03 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.47 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 7.3 mp0 -94.83 -5.97 43.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.294 0.638 . . . . 0.0 110.378 172.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.45 152.87 37.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.574 0.702 . . . . 0.0 110.718 168.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -132.36 123.83 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.433 1.493 . . . . 0.0 107.329 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -95.04 111.59 23.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.409 1.084 . . . . 0.0 108.466 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -119.53 129.32 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.49 0.716 . . . . 0.0 109.989 -169.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.09 135.54 12.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.53 138.6 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.121 0.969 . . . . 0.0 108.825 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.14 90.02 2.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.267 0.627 . . . . 0.0 109.842 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.16 155.55 58.15 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.371 1.068 . . . . 0.0 110.02 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.35 151.17 81.19 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.393 2.062 . . . . 0.0 110.665 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.46 -1.01 5.65 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.95 -21.69 66.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.254 1.021 . . . . 0.0 111.309 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.7 160.01 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.375 1.07 . . . . 0.0 110.753 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.65 157.09 16.93 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.477 0.711 . . . . 0.0 112.182 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.28 128.91 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 O-C-N 121.554 -0.716 . . . . 0.0 110.211 168.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -150.07 164.6 35.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.718 0.807 . . . . 0.0 111.616 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.92 156.66 30.35 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.74 -37.08 77.98 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.892 -0.505 . . . . 0.0 111.663 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -65.81 -26.14 67.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.888 0.875 . . . . 0.0 112.932 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -88.09 -45.04 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.917 0.887 . . . . 0.0 110.202 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -48.68 -34.71 12.42 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.25 1.82 . . . . 0.0 112.906 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.69 -24.62 67.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.418 1.087 . . . . 0.0 113.315 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -48.01 19.5 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 119.173 0.897 . . . . 0.0 109.728 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.676 ' H ' HD12 ' D' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 127.092 2.157 . . . . 0.0 110.697 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -105.97 139.99 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.966 0.906 . . . . 0.0 109.363 173.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.26 165.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.402 1.481 . . . . 0.0 111.298 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 105.16 5.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 166.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -122.39 137.65 54.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.288 -173.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -95.71 168.96 10.35 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -57.93 137.79 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.117 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -5.59 84.52 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.173 -0.793 . . . . 0.0 114.353 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -88.27 169.54 11.77 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.879 1.34 . . . . 0.0 111.739 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -134.92 155.97 49.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.486 0.66 . . . . 0.0 112.485 -170.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -140.8 157.46 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.949 1.7 . . . . 0.0 108.263 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -138.25 148.3 44.58 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mt -136.82 139.54 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.778 1.231 . . . . 0.0 109.095 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.62 50.18 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.2 10.05 7.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.065 0.946 . . . . 0.0 112.434 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -132.33 -9.69 3.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.05 135.95 52.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 119.354 0.979 . . . . 0.0 111.157 -170.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -128.25 145.79 50.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.512 1.125 . . . . 0.0 110.217 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -124.86 141.52 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.623 1.569 . . . . 0.0 108.038 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -137.43 126.6 24.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.947 0.499 . . . . 0.0 110.166 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.99 112.92 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 170.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.46 -32.16 42.58 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.976 0.51 . . . . 0.0 110.698 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -174.19 34.69 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.265 0.46 . . . . 0.0 113.419 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.45 157.87 26.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 117.511 0.655 . . . . 0.0 112.571 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -150.06 101.9 3.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.925 1.29 . . . . 0.0 109.101 168.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -116.3 5.56 Favored Glycine 0 CA--C 1.525 0.691 0 O-C-N 121.805 -0.559 . . . . 0.0 112.083 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -90.83 -16.38 28.39 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.604 0.702 . . . . 0.0 111.157 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.7 150.52 29.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.437 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.29 110.03 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 126.419 1.888 . . . . 0.0 106.212 -168.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -89.12 124.59 34.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.09 131.85 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.165 0.586 . . . . 0.0 110.971 -168.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 142.49 16.03 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.391 0.996 . . . . 0.0 111.843 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.23 128.96 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.026 1.331 . . . . 0.0 108.977 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.11 99.5 5.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.983 0.513 . . . . 0.0 109.718 -170.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 155.67 71.14 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.46 1.104 . . . . 0.0 110.434 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.95 159.12 35.17 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.769 2.313 . . . . 0.0 111.888 170.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -69.91 -0.89 8.13 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.273 0.629 . . . . 0.0 112.645 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.96 -22.75 67.05 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.653 1.181 . . . . 0.0 111.482 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.02 157.65 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.329 1.051 . . . . 0.0 110.94 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.66 156.49 16.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.88 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.06 126.99 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.209 0.604 . . . . 0.0 110.223 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -152.97 167.73 28.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.409 0.684 . . . . 0.0 111.891 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -69.11 159.39 33.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -19.8 65.87 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -60.2 -55.49 33.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.422 0.689 . . . . 0.0 110.054 169.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -71.41 -36.01 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.272 0.629 . . . . 0.0 109.966 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 124.315 1.046 . . . . 0.0 112.748 -179.31 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -95.99 148.32 22.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.75 0.42 . . . . 0.0 111.429 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.97 127.96 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.92 149.59 39.9 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.058 1.343 . . . . 0.0 108.989 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.82 96.86 5.12 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 122.003 0.906 . . . . 0.0 108.649 168.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -109.75 162.24 14.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.825 1.65 . . . . 0.0 109.118 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -114.79 177.05 4.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.74 134.79 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.098 0.475 . . . . 0.0 111.98 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.0 75.65 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 118.815 -0.992 . . . . 0.0 115.42 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 169.21 18.43 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.732 1.766 . . . . 0.0 112.64 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -136.84 143.1 42.92 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.758 1.223 . . . . 0.0 111.979 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.7 156.54 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 126.672 1.989 . . . . 0.0 108.227 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -129.21 147.24 51.04 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.645 0.778 . . . . 0.0 111.86 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.1 143.59 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.511 1.125 . . . . 0.0 109.062 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.18 -135.06 51.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -125.05 10.08 8.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.04 0.936 . . . . 0.0 112.729 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -139.09 -15.98 1.1 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.18 138.51 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.63 1.104 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 50.9 m -132.14 141.26 49.07 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.355 1.062 . . . . 0.0 110.699 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -126.76 124.43 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.874 1.27 . . . . 0.0 109.572 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -119.35 136.43 54.27 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.355 1.062 . . . . 0.0 110.066 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.55 116.83 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.36 -30.69 21.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.975 0.51 . . . . 0.0 111.048 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.08 -175.07 36.07 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 123.185 0.422 . . . . 0.0 113.582 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -118.88 159.49 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 C-N-CA 123.701 0.801 . . . . 0.0 112.046 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.57 89.93 1.67 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.665 1.186 . . . . 0.0 109.174 169.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.6 -102.92 1.26 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -100.24 -19.97 16.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.514 0.657 . . . . 0.0 112.084 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -72.62 143.45 48.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.232 0.539 . . . . 0.0 110.211 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.37 113.79 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -86.81 127.94 35.02 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.55 0.74 . . . . 0.0 109.365 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.7 147.05 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.052 0.941 . . . . 0.0 110.239 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.27 141.61 15.91 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.237 0.922 . . . . 0.0 111.25 170.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -130.82 130.82 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.264 1.026 . . . . 0.0 109.825 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -125.04 106.31 9.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.302 1.041 . . . . 0.0 109.133 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.65 157.91 76.86 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.074 0.949 . . . . 0.0 111.222 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -66.2 160.62 44.07 Favored 'Trans proline' 0 N--CA 1.449 -1.097 0 C-N-CA 122.888 2.392 . . . . 0.0 112.127 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -6.26 12.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 171.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.43 -14.87 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.818 1.247 . . . . 0.0 112.388 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.73 165.12 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.4 162.7 12.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.386 0.674 . . . . 0.0 111.462 171.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.95 127.53 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.576 0.75 . . . . 0.0 110.105 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.18 176.2 12.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.147 0.979 . . . . 0.0 110.091 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.99 163.92 23.87 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.817 -0.552 . . . . 0.0 109.878 168.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.22 -30.23 69.26 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.837 0.455 . . . . 0.0 112.105 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.48 -44.36 80.53 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.04 0.936 . . . . 0.0 111.735 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.96 -29.61 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.689 0.796 . . . . 0.0 110.456 -170.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.331 1.052 . . . . 0.0 112.563 173.952 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 109.43 21.34 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.584 0.753 . . . . 0.0 109.326 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.67 137.14 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.022 0.929 . . . . 0.0 109.114 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -132.44 156.19 47.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.192 0.997 . . . . 0.0 109.693 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -115.96 100.96 8.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.65 130.09 56.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.603 0.761 . . . . 0.0 110.326 -169.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -94.09 154.45 17.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 HG13 ' A' ' 25' ' ' VAL . 31.6 m -63.58 134.76 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 119.594 -0.843 . . . . 0.0 112.049 -169.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 -2.71 68.32 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.705 1.145 . . . . 0.0 114.198 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -100.21 171.01 8.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.84 1.32 . . . . 0.0 111.664 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -136.15 151.34 49.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.8 mm -112.9 158.5 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 125.908 1.683 . . . . 0.0 109.781 169.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.4 140.27 52.29 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.966 1.306 . . . . 0.0 110.027 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mt -134.58 130.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.035 0.934 . . . . 0.0 109.643 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.66 -127.63 28.73 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.05 2.0 5.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.87 0.868 . . . . 0.0 112.101 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -147.55 -7.87 0.44 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -105.6 136.64 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.417 1.008 . . . . 0.0 110.431 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -129.34 143.66 50.93 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.841 0.856 . . . . 0.0 109.249 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -122.78 141.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.645 1.178 . . . . 0.0 108.235 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -135.56 127.74 29.98 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.269 0.486 . . . . 0.0 110.142 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -79.37 106.45 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.25 -35.42 63.81 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.67 -168.0 33.21 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 166.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HG11 ' A' ' 8' ' ' VAL . 14.4 m -88.23 163.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.813 0.845 . . . . 0.0 112.422 -169.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 m -148.47 61.02 1.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.082 1.353 . . . . 0.0 109.546 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.84 -121.87 9.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -171.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.13 -0.36 44.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.61 0.764 . . . . 0.0 111.839 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.02 163.08 12.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.88 0.848 . . . . 0.0 111.559 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.6 t -140.91 128.82 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.739 1.616 . . . . 0.0 108.139 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -107.0 101.94 11.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.77 0.828 . . . . 0.0 110.373 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -108.79 132.06 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.413 1.485 . . . . 0.0 109.542 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.98 141.71 15.35 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.044 0.831 . . . . 0.0 111.876 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.9 mt -115.57 129.95 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.332 1.453 . . . . 0.0 108.183 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -119.69 74.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.232 1.015 . . . . 0.0 109.379 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.08 153.1 41.18 Favored Pre-proline 0 N--CA 1.454 -0.264 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.612 171.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.1 156.31 47.14 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.604 2.203 . . . . 0.0 110.467 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -69.46 -2.65 11.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.86 -24.74 63.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.915 0.886 . . . . 0.0 111.884 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -117.55 144.08 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.901 0.858 . . . . 0.0 111.74 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.09 143.0 30.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 110.85 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.64 130.33 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 122.678 0.391 . . . . 0.0 110.336 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -151.54 -175.89 5.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.283 1.033 . . . . 0.0 110.064 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.96 163.18 25.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 170.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -63.14 -26.45 68.82 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.31 -23.68 65.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 112.627 172.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -120.19 -26.52 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.885 1.274 . . . . 0.0 111.127 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.1 t80 . . . . . 0 N--CA 1.452 -0.372 0 O-C-N 121.335 -0.853 . . . . 0.0 110.498 -172.709 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -114.44 121.92 45.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 55.6 mt -118.01 141.41 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -165.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.39 139.17 46.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.864 1.265 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -116.23 107.75 15.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -131.16 159.31 38.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.754 0.822 . . . . 0.0 110.868 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -87.51 164.85 15.91 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.064 0.459 . . . . 0.0 112.183 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.84 134.72 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.078 0.466 . . . . 0.0 110.584 172.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.67 -3.06 67.77 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.637 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.6 162.21 18.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.087 1.444 . . . . 0.0 112.632 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -127.22 143.58 51.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.268 1.027 . . . . 0.0 111.651 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 8.4 mt -136.07 154.33 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.348 1.459 . . . . 0.0 109.298 -170.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -138.0 144.84 41.28 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -169.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.85 127.99 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.455 1.102 . . . . 0.0 109.83 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -135.59 51.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.7 4.77 6.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.756 0.822 . . . . 0.0 112.788 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -110.81 -21.76 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.72 136.01 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-N 119.023 0.829 . . . . 0.0 111.644 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -133.02 150.91 52.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.04 1.336 . . . . 0.0 109.761 170.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -130.17 146.72 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.125 1.77 . . . . 0.0 108.058 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -140.49 130.28 24.44 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.006 -0.434 . . . . 0.0 110.042 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.02 108.58 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.03 -29.92 43.87 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.09 -0.381 . . . . 0.0 110.884 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.49 -179.67 32.16 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 122.791 0.234 . . . . 0.0 112.688 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.62 153.84 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 121.237 0.542 . . . . 0.0 111.082 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -136.79 72.92 1.43 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.76 1.224 . . . . 0.0 108.718 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.3 -112.87 3.66 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.86 16.49 21.26 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.401 0.62 . . . . 0.0 111.712 169.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -99.0 157.24 16.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.374 1.07 . . . . 0.0 108.952 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -137.22 122.29 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.337 0.255 . . . . 0.0 110.328 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -88.24 119.96 29.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.087 0.955 . . . . 0.0 109.762 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.27 132.51 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.294 1.038 . . . . 0.0 109.88 -169.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.54 140.01 14.81 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -121.57 132.34 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.778 0.799 . . . . 0.0 109.514 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.41 75.01 1.61 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.208 -168.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.5 156.5 49.18 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.113 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -56.96 153.12 39.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.619 1.546 . . . . 0.0 110.731 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -68.18 -0.83 5.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.162 0.585 . . . . 0.0 112.051 172.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.93 -28.62 69.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.92 1.688 . . . . 0.0 112.584 171.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -106.72 144.1 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.237 1.015 . . . . 0.0 110.769 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.17 141.59 31.82 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.592 0.711 . . . . 0.0 112.304 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.54 98.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.904 -167.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.73 162.04 40.56 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.814 -0.554 . . . . 0.0 111.507 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.21 159.33 29.28 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -56.13 -33.07 64.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.651 0.781 . . . . 0.0 112.471 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.35 -55.09 31.96 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.403 1.001 . . . . 0.0 110.235 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.91 -45.52 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 110.045 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -51.03 -40.09 57.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.058 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.39 -25.47 65.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -78.8 -41.42 30.42 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.977 0.808 . . . . 0.0 110.241 172.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.23 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.26 4.72 16.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.98 -17.0 51.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.122 0.569 . . . . 0.0 111.861 169.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.62 47.64 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.836 169.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.91 -176.42 2.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.656 0.728 . . . . 0.0 112.501 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -128.64 179.54 5.63 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.094 1.358 . . . . 0.0 109.474 167.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.11 121.76 1.6 Allowed Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 124.445 1.098 . . . . 0.0 111.744 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.71 153.3 30.71 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.656 2.904 . . . . 0.0 113.907 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.677 1.191 . . . . 0.0 112.288 169.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 109.7 16.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.062 1.745 . . . . 0.0 106.292 164.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.49 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.739 0.816 . . . . 0.0 109.757 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.7 134.91 50.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.53 0.732 . . . . 0.0 109.473 167.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -89.51 139.13 30.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.774 0.829 . . . . 0.0 109.253 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 134.48 21.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.175 -0.328 . . . . 0.0 111.847 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.8 tptm -76.83 152.9 35.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.634 0.773 . . . . 0.0 110.193 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -58.35 138.68 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 121.768 -0.583 . . . . 0.0 111.952 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.88 82.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.59 1.09 . . . . 0.0 114.193 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.31 169.4 12.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.856 1.328 . . . . 0.0 112.983 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -125.79 155.29 41.3 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.33 1.052 . . . . 0.0 112.779 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mt -143.71 153.59 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.642 1.977 . . . . 0.0 108.81 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -124.66 148.79 47.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.104 0.962 . . . . 0.0 111.767 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -135.41 130.85 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.703 1.201 . . . . 0.0 108.969 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.53 -137.74 45.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -123.95 10.02 8.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.099 0.96 . . . . 0.0 111.864 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -119.07 -17.47 8.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.435 1.094 . . . . 0.0 113.097 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.19 139.79 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 118.784 0.72 . . . . 0.0 111.138 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -129.2 141.15 51.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.674 1.19 . . . . 0.0 109.228 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -122.05 141.58 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.798 1.239 . . . . 0.0 108.491 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.16 132.16 35.62 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.588 0.355 . . . . 0.0 110.104 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -87.01 117.57 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -94.56 -35.12 12.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.017 -0.427 . . . . 0.0 110.168 -172.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.07 38.76 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 169.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -110.99 154.19 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 123.616 0.766 . . . . 0.0 110.322 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -151.62 107.95 3.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.308 1.043 . . . . 0.0 108.796 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.04 -130.82 30.35 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -169.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -92.6 1.29 57.34 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.898 0.879 . . . . 0.0 112.17 172.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.99 153.11 21.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.069 0.948 . . . . 0.0 110.752 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 36.5 t -134.5 124.19 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.047 0.939 . . . . 0.0 108.838 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.6 ttm180 -80.69 115.23 20.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -122.12 130.19 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.694 1.197 . . . . 0.0 109.259 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.23 136.93 12.96 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 124.003 0.811 . . . . 0.0 111.72 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -122.33 121.07 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.198 0.999 . . . . 0.0 108.901 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -120.27 95.52 4.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.977 0.511 . . . . 0.0 110.168 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.13 157.25 78.76 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 124.303 1.041 . . . . 0.0 110.115 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.59 154.32 65.78 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.698 2.265 . . . . 0.0 111.411 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.6 -1.01 3.21 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.424 0.689 . . . . 0.0 112.566 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.9 -22.39 66.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.207 1.003 . . . . 0.0 111.37 169.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.68 147.59 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.008 0.923 . . . . 0.0 110.736 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.19 156.3 23.27 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.807 0.443 . . . . 0.0 111.102 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.01 129.38 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.062 0.545 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -155.8 165.94 35.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.569 0.622 . . . . 0.0 112.071 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.62 162.03 25.54 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 166.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 123.237 0.615 . . . . 0.0 112.062 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.84 -45.31 82.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.852 0.861 . . . . 0.0 111.467 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -91.37 -30.09 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.834 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.589 ' HA ' HD13 ' C' ' 51' ' ' ILE . 36.5 t80 -48.77 -39.82 26.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.217 0.607 . . . . 0.0 111.594 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.31 -20.82 2.96 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.59 1.956 . . . . 0.0 114.137 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -87.19 -39.42 15.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 172.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp . . . . . 0 N--CA 1.462 0.162 0 C-N-CA 125.454 1.501 . . . . 0.0 112.661 -168.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.538 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.3 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.42 109.67 14.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.598 1.959 . . . . 0.0 106.533 166.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.538 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.58 135.26 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.452 1.101 . . . . 0.0 109.103 -176.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -121.36 166.94 13.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.481 1.112 . . . . 0.0 110.491 172.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.16 109.83 14.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 168.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.52 127.51 54.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.238 -0.289 . . . . 0.0 110.309 -172.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -71.88 153.59 41.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.36 135.35 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.223 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -2.45 84.97 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.283 0.944 . . . . 0.0 114.257 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.94 171.38 9.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.137 1.469 . . . . 0.0 111.974 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -129.9 159.67 35.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -168.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mt -143.23 159.22 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 127.259 2.223 . . . . 0.0 108.607 -171.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -137.39 150.48 47.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 111.918 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -134.03 139.61 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.674 1.19 . . . . 0.0 109.11 177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.36 -135.69 51.65 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -122.37 3.29 9.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.012 0.925 . . . . 0.0 111.981 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.74 -11.83 3.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -170.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.61 137.26 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.679 0.672 . . . . 0.0 110.513 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -120.03 149.74 41.67 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.553 1.141 . . . . 0.0 109.487 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.38 145.97 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.63 1.572 . . . . 0.0 107.706 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -141.96 137.03 30.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.757 -0.589 . . . . 0.0 109.833 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.87 98.92 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.42 -30.54 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.583 -0.698 . . . . 0.0 111.1 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -173.66 40.59 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.592 -0.337 . . . . 0.0 113.636 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 m -112.45 159.56 12.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.522 0.729 . . . . 0.0 111.176 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -145.24 76.67 1.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.873 0.869 . . . . 0.0 109.909 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.23 -116.21 4.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.59 -3.76 45.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.074 0.55 . . . . 0.0 110.601 169.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -76.09 158.61 31.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.456 0.646 . . . . 0.0 111.655 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.47 125.57 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.587 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -82.53 114.59 21.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.42 121.0 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.729 0.812 . . . . 0.0 109.075 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.13 134.54 12.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -125.44 136.47 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.11 89.97 2.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.9 158.77 46.93 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 124.645 1.178 . . . . 0.0 109.424 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.85 150.15 87.22 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.72 1.613 . . . . 0.0 110.321 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -68.77 -1.06 6.21 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.05 -23.53 66.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.128 1.371 . . . . 0.0 111.81 168.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.26 159.9 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.057 0.943 . . . . 0.0 110.987 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.12 157.08 16.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.258 0.623 . . . . 0.0 112.321 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.26 124.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 168.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -149.96 156.37 41.61 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.577 0.751 . . . . 0.0 110.969 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -68.5 157.06 36.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 O-C-N 121.921 -0.487 . . . . 0.0 110.445 169.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.36 -36.16 73.05 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.958 0.903 . . . . 0.0 112.893 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.79 -18.84 64.25 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -95.64 -36.85 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.338 1.055 . . . . 0.0 111.069 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -49.44 -42.83 43.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.307 0.643 . . . . 0.0 111.761 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.68 -23.58 64.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.392 1.077 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.15 -42.96 24.96 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.815 0.846 . . . . 0.0 110.873 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 110.224 172.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.62 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.287 1.035 . . . . 0.0 109.995 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -134.64 164.98 26.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.831 1.652 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -133.17 99.9 4.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.73 132.93 52.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.367 1.467 . . . . 0.0 112.147 -168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -80.59 158.96 25.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.786 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -62.47 136.76 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.4 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.14 86.44 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.0 0.809 . . . . 0.0 114.097 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -96.03 169.71 9.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.713 1.256 . . . . 0.0 111.366 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -130.64 159.75 36.27 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -169.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 99.0 mt -135.92 156.15 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 127.108 2.163 . . . . 0.0 107.97 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.84 147.96 48.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.634 -0.666 . . . . 0.0 112.575 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -138.26 137.77 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.588 1.155 . . . . 0.0 109.177 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.32 50.6 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -125.67 7.41 7.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.701 0.801 . . . . 0.0 112.171 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -132.16 -5.83 3.45 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.77 134.91 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.112 0.869 . . . . 0.0 110.86 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -127.2 142.85 51.38 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.819 1.248 . . . . 0.0 109.375 171.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -122.68 141.23 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.015 1.326 . . . . 0.0 107.826 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.4 m -133.41 129.35 37.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.403 0.281 . . . . 0.0 110.271 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.51 106.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.36 -27.74 52.71 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.954 0.502 . . . . 0.0 110.942 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -173.97 35.02 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 123.61 0.624 . . . . 0.0 113.451 169.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -119.58 158.01 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.561 0.744 . . . . 0.0 112.275 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.97 89.99 1.65 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.824 1.249 . . . . 0.0 109.094 168.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -115.11 6.05 Favored Glycine 0 CA--C 1.526 0.734 0 O-C-N 121.62 -0.675 . . . . 0.0 112.043 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -86.68 -21.83 26.45 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 117.777 0.789 . . . . 0.0 111.16 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -76.43 149.43 36.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.2 1.0 . . . . 0.0 110.94 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.13 112.78 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 -169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -86.74 124.36 32.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.01 135.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 122.711 0.404 . . . . 0.0 110.84 -168.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.5 141.93 15.4 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 124.554 1.073 . . . . 0.0 111.39 171.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -128.89 121.94 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.139 1.375 . . . . 0.0 108.238 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -123.64 98.91 6.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 154.66 71.06 Favored Pre-proline 0 N--CA 1.451 -0.383 0 C-N-CA 124.854 1.261 . . . . 0.0 109.008 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -55.95 151.85 39.35 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 121.783 1.655 . . . . 0.0 111.511 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -65.93 -5.93 10.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.085 0.954 . . . . 0.0 111.821 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.8 -30.0 68.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.719 2.007 . . . . 0.0 113.057 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.93 155.15 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.666 0.786 . . . . 0.0 110.297 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 142.28 31.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.6 135.75 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.789 0.436 . . . . 0.0 110.298 169.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -151.89 167.38 28.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.567 0.747 . . . . 0.0 110.322 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -65.68 154.66 38.25 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -61.54 -27.15 68.41 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.782 0.433 . . . . 0.0 111.241 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.63 -41.62 86.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.949 1.3 . . . . 0.0 112.512 171.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -86.97 -34.14 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.556 1.142 . . . . 0.0 109.942 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 N--CA 1.453 -0.321 0 C-N-CA 124.426 1.09 . . . . 0.0 112.347 178.474 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -99.05 147.21 25.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.653 0.381 . . . . 0.0 111.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.82 139.13 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.715 0.806 . . . . 0.0 109.148 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.12 164.82 27.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 109.825 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.18 96.89 4.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -105.01 162.13 13.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.151 1.38 . . . . 0.0 110.786 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -123.51 169.5 11.35 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.51 135.58 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.561 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.09 -10.79 73.18 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.708 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.94 174.4 8.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.305 1.552 . . . . 0.0 112.396 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -137.55 159.75 41.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -134.41 149.42 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 125.985 1.714 . . . . 0.0 108.533 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -114.39 148.01 38.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.989 0.916 . . . . 0.0 111.55 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 76.6 mt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.749 1.22 . . . . 0.0 109.045 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -131.8 50.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.73 10.04 5.52 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.621 0.769 . . . . 0.0 112.79 174.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -130.04 -19.05 3.26 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.82 140.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.095 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -130.42 144.5 51.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.394 1.078 . . . . 0.0 110.473 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -122.23 142.43 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.118 1.767 . . . . 0.0 108.206 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -138.3 136.71 36.71 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.646 0.779 . . . . 0.0 110.432 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -95.56 98.14 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.99 -32.51 72.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.137 -0.352 . . . . 0.0 110.509 -172.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.21 170.23 18.54 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.677 0.656 . . . . 0.0 112.94 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.03 149.38 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.554 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -139.87 89.85 2.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.034 0.934 . . . . 0.0 108.748 168.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.01 -120.11 13.9 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -172.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.03 -17.75 42.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.656 0.782 . . . . 0.0 112.36 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.87 151.26 25.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.704 0.764 . . . . 0.0 110.445 171.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -135.97 119.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -86.65 124.18 32.64 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.47 140.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.272 1.029 . . . . 0.0 109.741 -168.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 143.0 17.95 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.872 0.749 . . . . 0.0 111.243 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.83 139.38 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.52 1.128 . . . . 0.0 109.467 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -129.13 108.08 10.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.426 1.091 . . . . 0.0 109.25 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.74 158.5 75.25 Favored Pre-proline 0 N--CA 1.454 -0.229 0 C-N-CA 124.067 0.947 . . . . 0.0 111.09 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.28 160.03 40.72 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.713 2.275 . . . . 0.0 111.996 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -59.75 -16.68 29.31 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.219 1.008 . . . . 0.0 113.315 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.57 -10.15 59.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.188 1.395 . . . . 0.0 112.193 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -129.07 165.12 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.142 0.977 . . . . 0.0 110.699 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.06 161.14 13.91 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.431 0.692 . . . . 0.0 111.396 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.83 125.33 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.402 0.681 . . . . 0.0 110.519 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -151.99 177.02 10.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.303 1.041 . . . . 0.0 110.167 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -78.62 163.45 25.47 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 168.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.17 -30.53 68.25 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.965 0.506 . . . . 0.0 112.205 -172.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.54 -43.51 79.96 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.114 0.966 . . . . 0.0 111.762 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -90.9 -31.62 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.593 0.757 . . . . 0.0 110.525 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 . . . . . 0 N--CA 1.455 -0.208 0 C-N-CA 124.621 1.168 . . . . 0.0 112.774 176.136 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 109.77 21.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.14 118.91 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.14 129.4 56.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.677 0.751 . . . . 0.0 108.974 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -81.03 141.05 34.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.597 1.159 . . . . 0.0 108.425 171.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' CZ ' HG12 ' A' ' 12' ' ' ILE . 8.7 tpt180 -128.28 161.32 29.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.423 1.489 . . . . 0.0 109.279 -167.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -139.28 150.01 44.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 168.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.0 t -49.67 124.96 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 122.258 0.223 . . . . 0.0 110.706 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 -5.9 58.39 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.563 1.077 . . . . 0.0 114.764 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.94 159.21 17.76 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.87 1.335 . . . . 0.0 112.185 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -130.59 143.18 50.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.7 mm -117.69 153.7 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 125.338 1.455 . . . . 0.0 109.441 175.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -123.38 136.33 54.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.139 0.975 . . . . 0.0 110.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 mt -129.71 130.47 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.211 1.004 . . . . 0.0 109.771 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.83 -130.4 36.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -124.87 1.08 8.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.297 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -134.45 -19.81 1.87 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.01 132.34 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 119.112 0.869 . . . . 0.0 110.478 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -127.08 143.97 51.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.799 0.839 . . . . 0.0 109.485 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -124.87 142.11 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.408 1.083 . . . . 0.0 108.417 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -135.35 133.8 39.15 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.419 0.688 . . . . 0.0 110.52 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -87.7 98.09 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 172.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -25.94 62.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -174.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.55 -167.96 37.96 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-N 117.794 0.27 . . . . 0.0 113.68 168.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.23 159.12 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 124.102 0.961 . . . . 0.0 111.305 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 m -138.99 74.7 1.48 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.31 1.044 . . . . 0.0 109.865 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.17 -116.63 5.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.6 -1.8 32.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.452 0.701 . . . . 0.0 111.804 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -98.91 157.11 16.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.697 0.761 . . . . 0.0 111.971 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.21 125.4 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.833 1.653 . . . . 0.0 108.323 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttm105 -111.09 101.88 10.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 110.283 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -110.63 131.09 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.366 1.466 . . . . 0.0 109.581 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.44 134.69 11.89 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 169.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -107.69 127.61 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.948 1.299 . . . . 0.0 108.117 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -114.84 74.99 0.9 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.341 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.84 152.78 40.29 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 114.199 -1.364 . . . . 0.0 110.493 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -72.52 156.59 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.489 2.126 . . . . 0.0 110.51 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -69.59 -0.96 7.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.98 -30.49 71.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.695 0.798 . . . . 0.0 111.117 168.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -118.67 143.97 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.831 0.852 . . . . 0.0 111.396 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.99 28.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.721 0.808 . . . . 0.0 110.656 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.79 129.34 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 122.633 0.373 . . . . 0.0 110.301 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -150.52 -175.99 5.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.102 1.361 . . . . 0.0 109.516 -170.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.49 168.06 18.87 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 172.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.78 -33.82 74.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.213 1.005 . . . . 0.0 112.752 -169.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.62 -26.09 42.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.166 1.387 . . . . 0.0 112.731 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -115.71 -25.67 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.596 1.558 . . . . 0.0 110.819 -174.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.452 -0.326 0 O-C-N 121.328 -0.857 . . . . 0.0 110.466 -169.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.0 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.58 120.48 42.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.71 139.35 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.791 0.437 . . . . 0.0 111.725 -166.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -132.33 139.77 48.28 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.632 1.173 . . . . 0.0 110.266 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.6 m -112.89 100.91 9.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -125.22 152.91 43.93 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.478 0.711 . . . . 0.0 110.901 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -92.62 169.03 10.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -62.27 134.35 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 110.635 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.31 -3.22 75.73 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.508 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -82.35 160.26 22.88 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 119.041 1.42 . . . . 0.0 111.775 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -130.76 147.88 52.48 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.928 0.891 . . . . 0.0 111.548 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 30.1 mt -134.69 156.02 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.686 1.594 . . . . 0.0 109.397 -170.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -139.16 144.09 38.43 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.537 -0.727 . . . . 0.0 112.588 -170.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -133.32 127.92 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.395 1.078 . . . . 0.0 109.701 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.58 50.79 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.09 5.0 7.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.779 0.832 . . . . 0.0 112.913 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -114.99 -20.73 10.39 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.65 135.39 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 119.144 0.884 . . . . 0.0 111.24 -169.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.8 m -134.56 151.01 50.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.786 1.235 . . . . 0.0 110.07 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.69 147.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.271 1.829 . . . . 0.0 108.194 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m -141.2 130.18 23.21 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.786 0.435 . . . . 0.0 110.215 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.39 107.37 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 171.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.15 -31.92 58.81 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.171 -0.33 . . . . 0.0 111.056 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.22 -175.62 36.98 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-O 120.413 -0.104 . . . . 0.0 113.191 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -113.11 153.9 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.332 0.587 . . . . 0.0 111.477 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -137.66 72.83 1.42 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.948 1.299 . . . . 0.0 108.709 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.86 -114.6 4.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.32 15.5 23.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.566 0.698 . . . . 0.0 111.426 169.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -98.94 159.75 14.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.968 167.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.1 t -144.36 118.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.881 0.872 . . . . 0.0 108.825 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.26 34.0 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.291 1.037 . . . . 0.0 109.611 -176.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.13 137.07 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 123.544 0.738 . . . . 0.0 111.151 -168.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.56 142.31 16.02 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 123.755 0.693 . . . . 0.0 112.173 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -126.51 131.91 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.082 0.953 . . . . 0.0 109.082 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -133.07 79.83 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.821 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.75 58.96 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.653 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -60.3 153.17 61.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 121.711 1.607 . . . . 0.0 109.341 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -70.1 -0.85 8.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 122.111 0.958 . . . . 0.0 111.997 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.87 -21.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.928 1.691 . . . . 0.0 110.95 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.49 144.08 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.141 1.376 . . . . 0.0 109.527 175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.08 27.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.32 116.01 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.186 0.994 . . . . 0.0 109.683 171.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.52 160.84 41.02 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.777 1.231 . . . . 0.0 110.811 169.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.0 ptt-85 -67.91 156.69 36.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.725 0.41 . . . . 0.0 111.314 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.46 -40.05 74.21 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.81 -18.67 65.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.24 -50.47 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.939 0.896 . . . . 0.0 110.567 172.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.08 -35.85 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.452 1.101 . . . . 0.0 111.874 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -71.6 -20.81 61.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -79.39 -39.54 32.27 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.482 1.037 . . . . 0.0 110.089 168.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' B' ' 55' ' ' LEU . 90.5 mt -64.44 -40.88 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -176.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -79.74 4.98 14.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.64 -19.26 45.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.042 0.537 . . . . 0.0 111.573 168.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.22 46.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 CA-C-O 119.396 -0.669 . . . . 0.0 114.439 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.03 -175.69 2.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.973 0.886 . . . . 0.0 112.844 -168.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.6 p -126.39 178.41 5.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.373 1.469 . . . . 0.0 109.367 167.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.16 118.64 1.16 Allowed Pre-proline 0 N--CA 1.455 -0.21 0 C-N-CA 124.591 1.156 . . . . 0.0 111.676 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -67.08 173.63 8.14 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.101 1.867 . . . . 0.0 113.96 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 124.322 1.049 . . . . 0.0 112.373 175.074 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.216 -0.421 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.25 111.4 22.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 166.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.75 134.39 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.941 0.896 . . . . 0.0 109.867 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -129.03 135.71 49.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.599 1.16 . . . . 0.0 109.639 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.5 p -94.89 144.3 25.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.404 0.282 . . . . 0.0 110.789 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.1 123.95 12.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.539 0.336 . . . . 0.0 110.828 -173.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -71.8 149.94 44.83 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 124.196 0.998 . . . . 0.0 109.121 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.59 134.48 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 CA-C-N 119.135 0.88 . . . . 0.0 111.604 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 -5.3 82.67 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.524 1.059 . . . . 0.0 114.254 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -89.85 179.58 5.95 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.134 1.467 . . . . 0.0 112.139 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -141.13 160.01 41.01 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -166.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.25 157.36 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 127.859 2.464 . . . . 0.0 108.256 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -132.31 148.77 52.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.766 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -133.41 133.39 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.343 1.057 . . . . 0.0 108.913 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.42 -138.42 43.61 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.45 9.95 9.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.979 0.912 . . . . 0.0 111.952 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -118.04 -17.25 9.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.344 1.058 . . . . 0.0 113.143 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.77 140.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.41 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -129.83 139.66 51.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.965 1.306 . . . . 0.0 109.249 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.99 137.11 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.49 1.116 . . . . 0.0 108.442 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -131.83 130.44 41.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.619 0.368 . . . . 0.0 110.24 -175.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -84.21 116.65 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 169.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.4 mt -92.59 -34.52 13.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -174.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.69 178.08 38.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 113.846 0.298 . . . . 0.0 113.846 168.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.08 149.13 14.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 C-N-CA 123.628 0.771 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -144.44 98.91 3.28 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.836 1.254 . . . . 0.0 108.696 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -131.22 22.18 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -169.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.1 0.62 57.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.886 0.874 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 153.83 20.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.048 0.939 . . . . 0.0 110.565 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.02 121.0 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.067 0.947 . . . . 0.0 108.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.618 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.5 ttm180 -78.43 114.76 17.62 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -122.02 127.79 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.642 1.177 . . . . 0.0 109.476 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.6 135.44 12.36 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 123.782 0.706 . . . . 0.0 111.778 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -119.09 117.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.13 0.972 . . . . 0.0 108.639 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -115.66 94.71 4.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.206 0.603 . . . . 0.0 110.073 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.79 78.61 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.364 1.066 . . . . 0.0 109.905 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -62.65 154.01 68.1 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.596 2.198 . . . . 0.0 111.286 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.73 -1.03 3.34 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.339 0.656 . . . . 0.0 112.499 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.9 -22.19 66.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.01 148.04 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.099 0.96 . . . . 0.0 110.74 175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.99 156.98 20.9 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.732 0.413 . . . . 0.0 111.231 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.26 133.75 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.127 0.571 . . . . 0.0 109.641 169.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -154.29 166.06 34.37 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 123.47 0.708 . . . . 0.0 111.487 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.586 HH21 HD22 ' D' ' 4' ' ' LEU . 9.8 ptp85 -82.46 160.99 22.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -32.95 71.46 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.32 -45.6 87.76 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.712 0.805 . . . . 0.0 111.662 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.04 -30.5 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.247 0.619 . . . . 0.0 110.589 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -51.64 -38.73 56.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.671 0.789 . . . . 0.0 111.975 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.98 -28.03 67.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.659 0.784 . . . . 0.0 112.59 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -73.05 -40.58 64.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.22 0.608 . . . . 0.0 111.687 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.456 -0.162 0 O-C-N 121.858 -0.526 . . . . 0.0 110.005 175.332 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.53 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.9 tpp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.19 109.92 19.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -93.07 128.14 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.214 1.006 . . . . 0.0 108.74 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 4' ' ' LEU . . . . . 0.586 HD22 HH21 ' C' ' 44' ' ' ARG . 17.3 mt -112.04 168.14 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.106 0.962 . . . . 0.0 110.047 169.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.17 109.68 12.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.3 130.81 57.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.997 -0.44 . . . . 0.0 111.178 -168.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -73.22 152.24 41.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.746 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.87 137.97 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.343 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.83 -3.28 87.12 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.388 0.994 . . . . 0.0 114.115 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -91.23 171.29 9.34 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.099 1.449 . . . . 0.0 112.009 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -129.58 156.72 43.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.482 0.713 . . . . 0.0 112.872 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.92 160.81 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 126.713 2.005 . . . . 0.0 108.85 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -139.57 149.42 43.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.058 0.943 . . . . 0.0 112.053 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.16 138.44 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.833 1.253 . . . . 0.0 109.053 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.41 -136.27 50.82 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -127.53 10.0 6.63 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 112.551 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -128.5 -12.82 4.93 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.49 137.89 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.055 0.843 . . . . 0.0 111.146 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 64.1 m -123.43 150.22 44.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.678 1.191 . . . . 0.0 109.722 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -133.67 147.24 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.904 1.681 . . . . 0.0 107.64 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -141.65 131.87 24.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.581 -0.699 . . . . 0.0 109.679 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -88.03 99.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.47 -30.91 63.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.875 0.47 . . . . 0.0 110.958 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.03 -172.28 39.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.26 158.51 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 121.217 0.532 . . . . 0.0 110.906 169.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 23.4 t -142.76 78.72 1.62 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.85 1.26 . . . . 0.0 108.273 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.43 -115.34 5.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.421 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mp0 -91.55 -14.67 29.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.167 0.987 . . . . 0.0 110.941 175.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -79.46 149.33 31.59 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.797 0.808 . . . . 0.0 110.869 170.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.97 127.17 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttm-85 -93.17 109.87 21.37 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.87 127.7 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.588 0.755 . . . . 0.0 109.922 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 135.8 12.43 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 123.968 0.794 . . . . 0.0 111.12 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.15 140.03 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.411 1.085 . . . . 0.0 108.792 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.11 89.91 2.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.42 0.688 . . . . 0.0 109.685 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.52 156.67 58.04 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 124.346 1.058 . . . . 0.0 109.874 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -61.34 150.64 84.0 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.156 1.904 . . . . 0.0 110.732 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.51 -1.31 6.37 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.05 -23.26 66.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.891 1.277 . . . . 0.0 111.529 168.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.03 159.23 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.12 157.1 16.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.309 0.643 . . . . 0.0 112.2 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.43 127.04 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.926 0.491 . . . . 0.0 110.054 168.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -150.22 166.65 29.26 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.759 0.824 . . . . 0.0 111.506 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -63.96 157.81 24.01 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 168.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.4 -34.32 77.47 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.446 -0.784 . . . . 0.0 111.682 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.83 -26.32 66.86 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 112.529 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.7 -43.96 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.797 0.839 . . . . 0.0 110.636 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.49 -38.81 14.58 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.84 1.256 . . . . 0.0 112.082 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.51 -21.05 62.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.341 1.057 . . . . 0.0 113.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -44.28 25.14 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.441 1.096 . . . . 0.0 110.223 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.628 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 125.278 1.431 . . . . 0.0 110.155 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.75 -0.093 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.38 131.72 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.59 0.756 . . . . 0.0 109.056 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -126.71 164.96 20.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.495 1.518 . . . . 0.0 110.668 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.58 104.29 6.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 167.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.94 124.68 53.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.61 1.564 . . . . 0.0 109.838 -171.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -90.64 165.73 13.56 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.764 1.165 . . . . 0.0 112.535 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.72 135.69 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.768 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.49 82.11 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.14 0.876 . . . . 0.0 114.104 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -95.38 167.17 11.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.56 1.18 . . . . 0.0 111.423 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -131.51 166.12 22.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -168.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -150.45 155.69 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.772 2.429 . . . . 0.0 108.222 -167.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -136.41 150.88 48.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.9 mt -136.87 137.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.795 1.238 . . . . 0.0 108.903 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -141.19 46.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -117.15 2.89 12.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.932 0.893 . . . . 0.0 112.026 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.07 -7.09 2.69 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.31 135.93 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.994 0.815 . . . . 0.0 110.841 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -125.98 142.29 51.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 109.865 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.27 140.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.983 1.313 . . . . 0.0 108.413 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -138.11 130.57 29.22 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.117 0.567 . . . . 0.0 109.987 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -82.79 106.89 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.45 -31.08 53.58 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.895 -0.503 . . . . 0.0 111.008 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.31 -175.48 35.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 113.838 0.295 . . . . 0.0 113.838 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.83 158.58 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.85 0.86 . . . . 0.0 112.065 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -150.02 89.97 1.64 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.846 1.258 . . . . 0.0 108.939 169.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.45 -113.48 5.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -174.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.7 -20.59 21.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.557 0.678 . . . . 0.0 111.591 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -74.9 142.19 44.07 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.167 0.508 . . . . 0.0 110.084 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.28 117.98 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -87.86 125.32 34.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.68 132.32 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.732 0.813 . . . . 0.0 110.352 -168.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.33 141.43 15.25 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.347 0.975 . . . . 0.0 111.72 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -135.17 124.32 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.899 1.28 . . . . 0.0 108.929 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -125.29 99.73 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.75 155.34 78.14 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.489 1.116 . . . . 0.0 110.433 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.2 158.22 40.82 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.857 2.371 . . . . 0.0 112.183 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.59 -1.0 12.02 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.473 0.709 . . . . 0.0 112.702 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -23.16 66.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.814 1.246 . . . . 0.0 111.947 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.8 159.21 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.898 0.879 . . . . 0.0 110.925 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.03 16.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.035 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 42' ' ' VAL . . . . . 0.431 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.07 128.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.881 0.472 . . . . 0.0 110.335 169.369 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -152.31 171.23 18.32 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.386 1.074 . . . . 0.0 110.243 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -83.77 163.96 19.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 168.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.57 66.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.3 -46.01 83.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.769 0.827 . . . . 0.0 110.602 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -82.33 -39.04 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.562 0.745 . . . . 0.0 109.91 -174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 124.105 0.962 . . . . 0.0 112.078 178.815 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 2' ' ' LEU . . . . . 0.431 HD12 HG13 ' E' ' 42' ' ' VAL . 6.7 mt -95.29 148.4 22.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.978 -0.451 . . . . 0.0 111.53 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.46 135.52 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.751 0.82 . . . . 0.0 108.834 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -128.95 161.36 30.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.697 1.199 . . . . 0.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.98 97.14 4.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 168.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -106.18 149.29 26.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.496 1.118 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -96.39 168.84 10.32 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.63 141.14 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 0.0 112.298 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.76 83.33 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.079 0.847 . . . . 0.0 113.788 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -91.74 174.6 7.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.74 1.27 . . . . 0.0 112.587 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -132.69 160.49 36.6 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.685 0.794 . . . . 0.0 112.807 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -141.12 157.01 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.253 1.821 . . . . 0.0 108.241 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -134.18 143.47 47.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.647 0.779 . . . . 0.0 111.538 -169.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.68 140.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.464 1.106 . . . . 0.0 109.318 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.25 -139.06 48.97 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.48 4.86 11.74 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 172.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -136.46 -13.88 1.74 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.17 135.52 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 119.063 0.847 . . . . 0.0 110.418 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -129.64 141.23 50.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.786 0.835 . . . . 0.0 110.386 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -117.33 142.0 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 C-N-CA 125.855 1.662 . . . . 0.0 108.141 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -134.21 128.18 33.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.311 0.644 . . . . 0.0 109.653 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -84.22 108.78 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.59 -24.51 36.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.483 0.713 . . . . 0.0 111.068 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.58 -170.88 32.38 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.101 0.381 . . . . 0.0 113.878 168.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.95 155.43 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.74 0.816 . . . . 0.0 111.973 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -142.16 89.94 2.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.792 1.237 . . . . 0.0 108.849 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.95 -106.78 1.76 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -93.1 -20.81 20.15 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 117.358 0.579 . . . . 0.0 111.808 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -73.04 139.33 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 122.894 0.478 . . . . 0.0 110.11 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.8 t -130.64 113.68 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -88.15 118.54 27.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.255 1.022 . . . . 0.0 109.234 -174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.86 133.47 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.652 0.781 . . . . 0.0 110.374 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.89 142.04 15.4 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.222 0.915 . . . . 0.0 111.283 171.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -130.09 131.08 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.437 1.095 . . . . 0.0 109.458 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -126.3 106.63 9.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.216 1.007 . . . . 0.0 109.234 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.22 158.28 76.0 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 111.336 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.58 161.81 33.81 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.968 2.445 . . . . 0.0 112.341 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.01 -11.66 59.33 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.635 0.774 . . . . 0.0 112.659 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.96 -20.51 66.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.083 1.353 . . . . 0.0 112.594 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -126.89 164.28 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.769 0.828 . . . . 0.0 111.299 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.64 162.84 13.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.135 0.574 . . . . 0.0 111.661 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.01 123.99 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.508 0.723 . . . . 0.0 109.885 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -153.41 173.58 15.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.181 0.992 . . . . 0.0 110.124 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -76.68 158.66 30.85 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 167.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.26 -21.22 66.71 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.71 -46.18 77.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.588 0.755 . . . . 0.0 111.587 171.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.1 -31.63 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.743 0.817 . . . . 0.0 110.203 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 174.624 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.06 109.54 22.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.702 0.801 . . . . 0.0 109.198 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.86 136.62 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.006 0.922 . . . . 0.0 109.152 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.97 154.85 50.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.207 1.003 . . . . 0.0 109.745 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -115.66 100.92 8.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.08 133.2 54.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.47 0.708 . . . . 0.0 110.452 -168.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.66 154.32 18.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.768 0.427 . . . . 0.0 109.863 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.97 124.36 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 122.88 0.472 . . . . 0.0 111.004 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.41 -5.87 60.91 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.849 1.214 . . . . 0.0 114.44 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -96.97 169.05 10.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.796 1.298 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -135.92 150.1 49.19 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -168.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 5.9 mm -106.68 158.41 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 125.876 1.67 . . . . 0.0 109.67 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -130.71 138.97 50.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.615 1.166 . . . . 0.0 110.13 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.7 mt -132.9 130.5 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.17 0.988 . . . . 0.0 109.55 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.53 -126.1 27.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.96 3.62 4.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.641 0.777 . . . . 0.0 112.358 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -136.77 -20.17 1.32 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -169.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.96 136.33 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.858 0.754 . . . . 0.0 110.221 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -130.8 141.66 50.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.765 0.826 . . . . 0.0 109.418 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.32 141.86 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.63 1.172 . . . . 0.0 108.147 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -135.84 132.95 37.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.635 0.652 . . . . 0.0 110.324 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -83.39 101.11 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 169.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.29 -28.8 61.35 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.026 -0.421 . . . . 0.0 110.115 -175.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -169.26 38.81 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 122.938 0.304 . . . . 0.0 113.399 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.28 153.25 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.696 0.798 . . . . 0.0 111.519 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -138.38 60.96 1.6 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.878 1.271 . . . . 0.0 109.681 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.74 -123.52 6.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -76.95 -18.45 58.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.418 0.609 . . . . 0.0 112.222 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.8 pt20 -98.77 149.74 22.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.36 1.076 . . . . 0.0 112.053 174.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.14 126.38 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.841 1.657 . . . . 0.0 108.961 -168.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -90.94 101.99 14.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.853 0.861 . . . . 0.0 109.667 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -110.08 133.77 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.472 1.109 . . . . 0.0 109.677 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.92 140.9 15.78 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.974 0.797 . . . . 0.0 111.682 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -114.41 136.18 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 125.48 1.512 . . . . 0.0 108.325 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.29 74.96 1.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.005 . . . . 0.0 109.233 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.04 154.4 39.57 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 125.247 1.419 . . . . 0.0 110.7 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.03 153.14 57.68 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.581 2.187 . . . . 0.0 110.35 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -68.95 -3.84 14.39 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -69.28 -25.48 64.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.939 0.896 . . . . 0.0 112.073 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -115.62 144.02 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.875 0.845 . . . . 0.0 111.693 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.52 143.0 28.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.133 0.973 . . . . 0.0 110.749 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 128.57 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.581 0.352 . . . . 0.0 110.387 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -152.41 172.91 15.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.212 1.005 . . . . 0.0 110.567 -170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 163.14 12.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.912 -0.493 . . . . 0.0 110.962 176.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -64.1 -37.32 87.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -75.35 -3.11 31.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -115.73 -31.29 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 111.057 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.0 t80 . . . . . 0 N--CA 1.45 -0.438 0 O-C-N 121.362 -0.836 . . . . 0.0 110.677 -170.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -116.6 121.18 40.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.835 1.654 . . . . 0.0 107.603 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.01 142.58 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -164.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -144.74 143.88 30.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.734 1.213 . . . . 0.0 111.307 -171.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 134.27 34.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 166.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 2.4 tpm_? -132.9 118.77 19.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.067 0.547 . . . . 0.0 110.163 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 38.6 ttpt -87.06 149.44 24.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -55.19 130.69 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.756 -168.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.19 56.27 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.135 0.874 . . . . 0.0 114.805 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.98 164.49 13.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.798 1.299 . . . . 0.0 111.659 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -130.41 159.95 35.49 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -141.22 155.42 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.546 1.938 . . . . 0.0 109.306 -172.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -134.77 140.95 46.3 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.737 0.815 . . . . 0.0 111.613 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.7 129.73 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 124.353 1.061 . . . . 0.0 109.327 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -135.56 51.78 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -122.85 3.37 9.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.692 0.797 . . . . 0.0 112.22 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -120.48 -17.73 8.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.629 0.771 . . . . 0.0 112.975 -172.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.65 136.53 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.782 0.719 . . . . 0.0 110.786 -171.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -132.85 149.33 52.27 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.737 1.215 . . . . 0.0 109.927 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -128.79 144.51 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 126.029 1.732 . . . . 0.0 108.174 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -138.02 132.87 32.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 122.809 0.444 . . . . 0.0 110.502 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.94 100.15 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.68 -32.67 68.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.582 -0.699 . . . . 0.0 111.101 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.53 178.84 36.72 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 122.702 0.192 . . . . 0.0 112.849 173.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.43 147.84 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -131.43 71.18 1.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 0.0 108.686 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 -112.54 3.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.58 13.19 25.45 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 111.711 170.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.01 156.25 17.02 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.319 1.047 . . . . 0.0 109.093 167.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.0 t -137.58 119.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.88 120.85 29.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.282 1.033 . . . . 0.0 109.789 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.71 133.72 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.324 1.05 . . . . 0.0 109.823 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 138.93 14.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -121.1 132.33 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.839 0.828 . . . . 0.0 109.541 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -133.0 75.91 1.65 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.666 -168.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.1 157.41 55.44 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.605 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -60.29 155.53 45.68 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 121.695 1.597 . . . . 0.0 109.786 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.902 0.881 . . . . 0.0 111.669 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.84 -23.96 66.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.997 1.719 . . . . 0.0 111.087 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.23 144.09 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.63 1.172 . . . . 0.0 109.828 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.54 142.03 29.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.461 0.648 . . . . 0.0 111.185 171.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 t -142.2 96.53 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.019 -166.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.08 159.38 43.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.781 0.433 . . . . 0.0 111.895 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.5 ptt-85 -66.4 159.98 25.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.037 0.535 . . . . 0.0 111.899 170.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.56 -39.54 76.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.171 0.588 . . . . 0.0 112.267 -173.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.97 -2.17 11.8 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -105.56 -51.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.143 0.977 . . . . 0.0 109.762 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -50.11 -37.52 34.43 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.968 1.307 . . . . 0.0 112.058 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.47 -21.81 62.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.7 -42.73 27.65 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.966 0.803 . . . . 0.0 110.138 169.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.3 mt -63.19 -38.5 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 123.315 0.646 . . . . 0.0 109.355 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -81.33 4.0 22.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.49 -18.72 44.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.282 0.633 . . . . 0.0 111.816 169.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.63 49.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.664 0 C-N-CA 123.411 0.529 . . . . 0.0 113.968 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.97 -177.2 2.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 117.535 0.668 . . . . 0.0 112.468 -168.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 37.9 p -127.55 -175.67 3.53 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.142 1.377 . . . . 0.0 109.644 168.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 123.88 2.8 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 124.023 0.929 . . . . 0.0 111.27 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.92 168.48 7.17 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.855 2.37 . . . . 0.0 114.294 -169.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.971 1.308 . . . . 0.0 113.096 -178.475 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpp . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 110.07 19.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 167.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.06 133.54 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.156 0.983 . . . . 0.0 109.663 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.63 134.98 46.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.316 1.046 . . . . 0.0 109.686 171.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.3 p -106.97 140.67 39.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.529 0.332 . . . . 0.0 111.076 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.608 ' HE ' ' CG2' ' C' ' 22' ' ' ILE 0.275 0.0 OUTLIER -146.17 161.3 40.51 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.737 165.511 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.9 tptm -74.84 156.25 36.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.986 1.714 . . . . 0.0 109.861 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -57.97 138.98 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 118.856 0.753 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -4.98 82.57 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.708 1.147 . . . . 0.0 114.507 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.02 177.62 6.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.97 1.385 . . . . 0.0 112.971 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -139.25 156.84 46.79 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.36 1.064 . . . . 0.0 113.096 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.461 HG13 ' HD3' ' C' ' 6' ' ' ARG . 9.7 mt -146.35 151.48 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 126.874 2.07 . . . . 0.0 108.708 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -117.2 148.13 41.88 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.185 0.994 . . . . 0.0 111.517 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -130.94 127.79 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.68 1.192 . . . . 0.0 108.658 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.8 -134.38 51.88 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.256 -1.137 . . . . 0.0 110.256 -169.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.58 7.2 6.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.714 0.806 . . . . 0.0 111.782 168.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -111.42 -19.95 12.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.336 1.054 . . . . 0.0 112.94 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.38 139.13 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.461 0.705 . . . . 0.0 110.814 -170.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -129.37 141.37 51.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.366 1.066 . . . . 0.0 109.741 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -119.67 139.57 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.271 1.428 . . . . 0.0 108.507 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -135.83 130.19 33.57 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.886 0.474 . . . . 0.0 110.156 -174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.608 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.4 tp -85.38 122.58 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.9 mt -97.15 -37.59 10.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -176.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.82 -173.24 43.39 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.48 -0.39 . . . . 0.0 113.877 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.31 152.24 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 C-N-CA 123.525 0.73 . . . . 0.0 110.896 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.21 93.08 2.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.008 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -126.05 10.82 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.1 -0.18 57.11 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.919 0.887 . . . . 0.0 112.139 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.84 153.23 22.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.51 0.724 . . . . 0.0 110.901 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.12 125.41 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 107.799 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 38.1 ttm-85 -88.7 117.32 27.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -120.28 130.84 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.189 1.396 . . . . 0.0 109.032 -175.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.97 139.63 14.56 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.956 0.789 . . . . 0.0 111.427 172.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -124.88 123.8 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.355 1.062 . . . . 0.0 108.497 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -121.78 92.39 3.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.374 0.669 . . . . 0.0 109.604 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.53 156.67 76.82 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.474 1.109 . . . . 0.0 109.684 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.44 150.82 83.39 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.361 2.04 . . . . 0.0 110.767 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -66.11 -0.95 2.74 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.515 0.726 . . . . 0.0 112.456 172.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.9 -23.99 66.75 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.505 1.122 . . . . 0.0 111.443 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -121.29 148.83 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.116 0.966 . . . . 0.0 110.546 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 156.95 20.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.514 0.325 . . . . 0.0 111.326 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.11 130.86 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 123.118 0.567 . . . . 0.0 109.532 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -155.91 165.38 36.66 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.308 0.643 . . . . 0.0 111.707 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -83.44 161.97 21.14 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.31 -37.03 79.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -168.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.77 -19.89 62.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mm -95.67 -35.59 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.545 0.738 . . . . 0.0 110.69 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -51.81 -36.8 49.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.287 1.035 . . . . 0.0 112.375 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.91 -28.53 66.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.817 0.847 . . . . 0.0 112.634 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -68.65 -39.08 80.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.346 0.658 . . . . 0.0 111.776 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.429 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.458 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.2 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.76 117.03 33.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.01 0.924 . . . . 0.0 109.314 170.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.458 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.2 mp -101.21 137.87 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.82 142.56 30.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.025 1.33 . . . . 0.0 108.768 -169.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.61 121.08 44.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -131.16 127.92 39.0 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.486 -0.292 . . . . 0.0 110.924 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.29 154.31 41.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.358 0.526 . . . . 0.0 110.367 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' D' ' 25' ' ' VAL . 15.4 m -52.64 135.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.191 169.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.84 -2.55 82.27 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.476 1.036 . . . . 0.0 114.214 178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -95.79 171.04 8.9 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.005 1.403 . . . . 0.0 112.001 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -128.38 156.6 42.87 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -168.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -141.48 160.24 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 127.566 2.346 . . . . 0.0 108.8 -173.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -140.99 150.72 43.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.14 138.71 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.76 1.224 . . . . 0.0 109.126 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.03 -137.55 50.35 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.35 7.96 9.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.176 0.99 . . . . 0.0 111.761 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -133.88 -11.71 2.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.17 138.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 118.777 0.717 . . . . 0.0 110.802 -171.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -122.53 146.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.506 1.123 . . . . 0.0 109.689 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.98 143.78 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.77 1.628 . . . . 0.0 107.64 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -142.15 132.16 24.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.666 -0.646 . . . . 0.0 110.099 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -87.65 93.57 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.19 -31.99 70.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.088 0.555 . . . . 0.0 111.116 -169.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -172.11 42.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 121.424 0.458 . . . . 0.0 112.913 170.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -134.81 132.63 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.17 1.388 . . . . 0.0 109.804 -171.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -141.09 88.94 2.2 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.035 0.934 . . . . 0.0 109.568 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -121.9 10.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -97.09 -12.01 23.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.655 0.782 . . . . 0.0 110.889 174.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -74.37 145.13 44.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 169.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.64 132.45 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -100.63 111.24 23.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.073 1.349 . . . . 0.0 108.657 -169.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.478 HG13 HH12 ' C' ' 6' ' ' ARG . 2.1 mt -125.45 128.15 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.073 -168.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.34 138.61 14.19 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.71 139.74 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.264 1.026 . . . . 0.0 108.343 172.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.04 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.67 156.08 59.12 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.622 1.169 . . . . 0.0 109.639 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -61.04 150.14 85.64 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.002 1.801 . . . . 0.0 110.57 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.69 -1.17 6.33 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.01 -23.18 66.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.736 1.215 . . . . 0.0 111.401 168.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.11 160.01 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.187 0.995 . . . . 0.0 110.726 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 157.11 16.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.532 0.733 . . . . 0.0 112.183 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.45 122.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 O-C-N 121.874 -0.516 . . . . 0.0 110.311 168.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -148.73 157.05 43.17 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -64.0 160.26 18.29 Favored 'General case' 0 C--O 1.227 -0.102 0 O-C-N 121.788 -0.57 . . . . 0.0 110.731 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.26 -34.31 76.29 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.325 0.512 . . . . 0.0 111.819 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.32 -51.53 66.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 111.29 170.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -72.59 -40.48 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.256 1.022 . . . . 0.0 110.205 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.9 -39.04 62.42 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.479 1.512 . . . . 0.0 111.9 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.97 -22.93 63.15 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.36 1.064 . . . . 0.0 112.966 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.62 -41.49 45.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.623 0.769 . . . . 0.0 110.566 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.601 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 C--N 1.334 -0.106 0 C-N-CA 125.286 1.434 . . . . 0.0 109.934 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.39 138.07 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.302 1.041 . . . . 0.0 109.728 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -134.22 165.04 26.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.849 1.66 . . . . 0.0 110.817 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.68 98.22 4.27 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 168.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.01 131.18 52.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.623 1.569 . . . . 0.0 111.757 -168.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -81.43 157.66 24.87 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.61 0.243 . . . . 0.0 111.624 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -60.72 136.41 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.042 0.448 . . . . 0.0 111.533 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.09 -3.27 84.4 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.13 0.872 . . . . 0.0 114.241 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -94.26 167.15 11.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.734 1.267 . . . . 0.0 111.5 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -129.64 159.51 36.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -137.9 157.77 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.798 2.039 . . . . 0.0 108.186 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -136.52 148.7 47.75 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.432 -0.793 . . . . 0.0 112.829 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -137.5 138.44 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.669 1.188 . . . . 0.0 109.151 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.82 -136.75 50.95 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.29 10.03 6.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.819 0.848 . . . . 0.0 112.489 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.86 -11.59 4.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.2 136.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 119.212 0.915 . . . . 0.0 111.197 -169.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -127.43 143.18 51.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -123.61 143.77 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.304 1.441 . . . . 0.0 108.026 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -138.94 128.47 24.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.785 0.434 . . . . 0.0 109.9 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.2 105.95 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 169.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.86 -33.44 60.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.763 -0.586 . . . . 0.0 110.441 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -178.23 37.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 113.872 0.309 . . . . 0.0 113.872 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.1 151.51 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.688 0.795 . . . . 0.0 111.789 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -141.77 89.85 2.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.913 1.285 . . . . 0.0 108.815 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -112.43 5.0 Favored Glycine 0 CA--C 1.526 0.754 0 O-C-N 121.763 -0.585 . . . . 0.0 111.921 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -89.88 -25.68 20.86 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.58 0.69 . . . . 0.0 111.666 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -72.9 147.29 45.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.234 0.614 . . . . 0.0 110.048 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.81 120.65 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -82.23 114.46 20.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.34 0.656 . . . . 0.0 109.471 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.74 124.51 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.706 0.802 . . . . 0.0 110.001 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.55 140.76 15.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.297 0.951 . . . . 0.0 111.418 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -133.89 127.95 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 109.064 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -131.17 98.98 4.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 156.22 75.94 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.767 1.227 . . . . 0.0 110.018 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.36 157.85 33.92 Favored 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 122.613 2.208 . . . . 0.0 111.849 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -67.73 -0.99 4.58 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.49 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.96 -24.92 67.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.077 1.351 . . . . 0.0 111.909 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.71 155.11 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.118 0.967 . . . . 0.0 110.84 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.34 155.1 20.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.408 170.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.27 125.83 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.795 0.438 . . . . 0.0 110.394 169.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -152.03 169.18 22.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.343 1.057 . . . . 0.0 110.039 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 30.8 ptt-85 -76.56 164.47 25.91 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.626 -0.671 . . . . 0.0 110.301 169.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.13 -27.57 68.49 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.88 0.472 . . . . 0.0 112.148 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.5 -43.04 93.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.342 1.057 . . . . 0.0 112.374 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -86.56 -33.34 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.849 0.86 . . . . 0.0 110.279 -171.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.454 -0.256 0 C-N-CA 124.242 1.017 . . . . 0.0 112.483 178.35 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.099 0.037 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.91 150.79 20.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.678 0.391 . . . . 0.0 111.35 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.26 121.57 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.51 153.14 25.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.884 1.674 . . . . 0.0 108.98 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 104.67 10.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 168.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.69 127.54 55.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.95 1.3 . . . . 0.0 110.19 -169.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.8 164.99 13.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 119.46 1.027 . . . . 0.0 112.705 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -59.25 136.33 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.091 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.57 -4.78 76.67 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.25 0.929 . . . . 0.0 114.173 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -97.55 169.51 9.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.72 1.26 . . . . 0.0 111.745 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -133.77 158.13 44.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -169.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 50.4 mt -136.93 150.37 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 126.065 1.746 . . . . 0.0 108.819 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -122.52 148.83 44.71 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.548 0.739 . . . . 0.0 111.808 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -135.64 137.52 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.736 1.214 . . . . 0.0 109.233 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.94 -136.24 50.11 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -120.26 3.09 10.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.758 0.823 . . . . 0.0 112.335 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.91 -13.83 1.42 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.52 134.63 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 119.122 0.873 . . . . 0.0 110.462 -174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -128.65 142.07 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.916 0.886 . . . . 0.0 110.373 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -121.18 143.15 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.954 1.702 . . . . 0.0 108.091 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 44.0 m -137.11 130.38 31.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.094 0.558 . . . . 0.0 109.907 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.37 109.29 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.53 -27.77 34.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.142 0.577 . . . . 0.0 111.116 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.67 -175.37 35.0 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 123.3 0.476 . . . . 0.0 113.157 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.08 153.68 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.363 0.665 . . . . 0.0 111.415 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -146.38 89.84 1.89 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.368 1.067 . . . . 0.0 108.721 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.61 -121.98 28.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -171.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.86 -22.01 40.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.3 145.21 39.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.442 0.639 . . . . 0.0 110.494 175.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.23 118.94 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -85.94 127.17 34.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.37 140.64 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.902 0.881 . . . . 0.0 109.925 -169.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 142.1 17.23 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.244 0.926 . . . . 0.0 111.328 174.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.49 135.66 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 124.279 1.032 . . . . 0.0 109.554 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -129.02 109.52 11.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 109.208 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.5 157.67 76.84 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.74 0.816 . . . . 0.0 111.285 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.15 160.44 41.95 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.957 2.438 . . . . 0.0 112.318 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -64.14 -12.3 38.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.72 -15.41 61.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.798 1.239 . . . . 0.0 112.587 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.56 163.99 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.888 0.875 . . . . 0.0 111.029 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 161.49 13.77 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.244 0.618 . . . . 0.0 111.462 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -154.96 125.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.485 0.714 . . . . 0.0 110.17 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -152.92 173.71 15.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.194 0.998 . . . . 0.0 109.919 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.88 163.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.725 -0.609 . . . . 0.0 109.925 168.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.87 -29.78 69.74 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.776 0.43 . . . . 0.0 112.113 -171.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.39 -44.54 76.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.089 0.955 . . . . 0.0 111.67 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -89.65 -30.75 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.551 0.741 . . . . 0.0 110.378 -170.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.184 0.994 . . . . 0.0 112.644 175.839 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 111.36 23.52 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.518 0.727 . . . . 0.0 109.437 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.59 133.3 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.507 0.723 . . . . 0.0 109.778 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -132.59 162.27 31.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.456 1.102 . . . . 0.0 109.761 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 129.06 47.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -175.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -126.64 165.63 18.84 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.763 0.825 . . . . 0.0 109.931 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -129.09 158.41 39.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.3 t -51.16 120.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.545 0.212 . . . . 0.0 110.826 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.93 -5.47 56.43 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.466 1.031 . . . . 0.0 114.53 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -93.18 170.21 9.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.84 1.32 . . . . 0.0 112.151 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -141.02 157.16 45.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 18.0 mm -119.19 155.46 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.248 1.819 . . . . 0.0 109.437 169.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -126.71 139.81 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.4 1.08 . . . . 0.0 110.617 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.49 132.72 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.162 0.985 . . . . 0.0 109.707 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.17 27.52 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.46 -3.91 6.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.941 0.896 . . . . 0.0 112.426 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -134.26 -18.7 1.99 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.3 mt -104.26 138.57 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.692 0.678 . . . . 0.0 110.501 -169.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -137.0 147.33 46.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.861 0.864 . . . . 0.0 109.499 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.88 144.08 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.633 1.173 . . . . 0.0 108.413 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -139.7 137.13 34.92 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.47 0.577 . . . . 0.0 110.551 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.97 103.5 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.81 -28.03 50.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.143 -0.348 . . . . 0.0 110.544 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.12 -178.83 42.72 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 117.921 0.328 . . . . 0.0 113.897 169.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 152.16 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.367 1.067 . . . . 0.0 110.985 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -142.62 60.99 1.43 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.576 1.15 . . . . 0.0 110.192 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -121.67 5.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.15 -17.0 53.68 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.201 0.6 . . . . 0.0 111.673 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.99 154.14 18.31 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 171.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -133.5 140.96 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.397 1.879 . . . . 0.0 108.895 -169.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -107.92 104.58 14.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.933 0.893 . . . . 0.0 110.22 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.4 mt -113.06 133.54 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.907 1.283 . . . . 0.0 109.909 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.99 141.85 16.01 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 123.899 0.761 . . . . 0.0 112.018 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.05 138.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.464 1.506 . . . . 0.0 108.432 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -127.01 75.05 1.55 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.408 1.083 . . . . 0.0 109.186 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.87 153.84 42.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.123 1.369 . . . . 0.0 110.667 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.39 155.96 55.05 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.455 2.103 . . . . 0.0 110.6 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.14 -1.31 7.45 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.9 -31.05 71.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.937 0.895 . . . . 0.0 111.245 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.4 144.01 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.844 0.83 . . . . 0.0 111.4 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.53 143.06 27.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.727 0.811 . . . . 0.0 110.704 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.71 130.71 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.582 0.353 . . . . 0.0 110.085 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.9 163.91 35.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.853 0.861 . . . . 0.0 110.87 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 162.95 21.86 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.537 171.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.47 -36.72 84.71 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 119.292 0.951 . . . . 0.0 111.817 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -64.97 -10.14 27.01 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.724 1.21 . . . . 0.0 113.804 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.5 -9.01 8.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 124.704 1.202 . . . . 0.0 111.149 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.45 -0.432 0 O-C-N 120.328 -1.483 . . . . 0.0 110.664 175.519 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.463 -0.303 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.92 120.11 40.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 168.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.04 140.42 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.797 -166.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -135.69 144.49 45.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.561 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -102.25 130.77 49.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -139.08 124.7 19.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.025 0.53 . . . . 0.0 110.985 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -80.68 151.08 29.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.298 172.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 21.1 m -55.53 129.28 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.164 0.507 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.31 60.12 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 124.0 0.809 . . . . 0.0 114.885 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -91.75 160.77 15.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.894 1.347 . . . . 0.0 111.218 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.75 161.11 29.74 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -169.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -143.88 158.64 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.65 1.98 . . . . 0.0 108.972 -171.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -141.02 144.46 35.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.755 0.822 . . . . 0.0 111.927 -170.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -134.78 129.03 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.487 1.115 . . . . 0.0 109.66 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -135.74 51.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -125.28 5.06 7.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.878 0.871 . . . . 0.0 112.753 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -115.14 -22.66 9.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.74 136.54 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 119.009 0.822 . . . . 0.0 111.393 -169.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -132.18 149.19 52.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.874 1.27 . . . . 0.0 109.889 171.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -130.5 145.27 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 126.129 1.771 . . . . 0.0 108.325 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -138.57 134.44 33.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.837 0.455 . . . . 0.0 110.468 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.79 97.53 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.83 -34.26 76.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.55 -0.719 . . . . 0.0 111.253 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 165.98 -176.55 41.34 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 122.156 -0.068 . . . . 0.0 113.22 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.89 153.6 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.004 0.522 . . . . 0.0 110.615 173.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -135.9 76.44 1.61 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 108.945 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -117.77 4.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -99.48 9.48 43.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.015 0.526 . . . . 0.0 110.832 173.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.0 158.7 15.47 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.247 1.019 . . . . 0.0 110.523 169.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.26 119.85 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.988 1.315 . . . . 0.0 109.062 -168.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.48 124.0 38.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.699 1.2 . . . . 0.0 109.52 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.6 132.9 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.794 0.838 . . . . 0.0 110.421 -169.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.38 139.94 14.74 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.3 mt -123.5 132.46 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.932 0.893 . . . . 0.0 109.51 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -133.0 75.03 1.6 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.358 -168.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.01 157.44 50.56 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -59.82 158.4 29.06 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.086 1.857 . . . . 0.0 111.36 169.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -72.1 -0.85 12.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.496 0.718 . . . . 0.0 112.61 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.99 -23.25 66.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.96 1.304 . . . . 0.0 112.035 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.6 144.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.225 1.01 . . . . 0.0 110.458 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.81 142.3 29.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.772 0.796 . . . . 0.0 111.686 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.28 96.55 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.257 -166.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.04 159.31 42.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.26 0.552 . . . . 0.0 111.686 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.6 ptt-85 -68.98 158.08 35.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.948 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -55.3 -41.78 72.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.46 0.704 . . . . 0.0 112.377 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.28 -17.33 62.39 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -94.13 -50.37 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.238 1.015 . . . . 0.0 110.511 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -50.52 -36.9 36.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.917 1.287 . . . . 0.0 112.049 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -69.83 -21.99 63.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -79.51 -41.46 27.33 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.288 0.949 . . . . 0.0 110.01 169.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.405 ' HA ' HD12 ' B' ' 55' ' ' LEU . 94.3 mt -62.5 -39.72 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -81.49 5.13 18.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.28 -17.31 46.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.489 0.716 . . . . 0.0 111.869 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.54 45.76 0.1 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-O 119.644 -0.531 . . . . 0.0 114.011 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.07 -177.41 2.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.851 0.826 . . . . 0.0 112.679 -168.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -131.53 -167.35 1.85 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.176 1.391 . . . . 0.0 108.779 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.36 134.76 24.44 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 118.308 0.504 . . . . 0.0 111.162 -170.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -45.73 162.87 0.1 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 1 C-N-CA 125.55 4.167 . . . . 0.0 115.921 -178.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 125.423 1.489 . . . . 0.0 113.501 170.149 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.63 105.43 13.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 166.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.51 134.09 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.602 0.761 . . . . 0.0 109.631 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.8 mt -129.83 134.94 47.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.144 0.978 . . . . 0.0 109.347 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -90.94 148.81 22.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.452 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.2 ttp180 -146.05 141.51 27.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.012 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -94.29 147.61 23.03 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.25 134.4 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-N 119.207 0.912 . . . . 0.0 111.896 -172.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -8.6 73.8 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.958 1.266 . . . . 0.0 114.763 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -89.16 -176.91 5.28 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.491 1.646 . . . . 0.0 112.441 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -143.36 160.72 40.02 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.452 HG13 ' HD3' ' C' ' 6' ' ' ARG . 66.4 mt -137.57 157.77 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.452 2.301 . . . . 0.0 108.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -125.44 147.13 49.32 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.573 1.149 . . . . 0.0 111.428 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.14 136.64 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.648 1.179 . . . . 0.0 108.902 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.13 -138.77 44.86 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.589 -0.605 . . . . 0.0 111.589 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.54 7.41 11.8 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.109 0.963 . . . . 0.0 111.408 169.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -128.57 -13.04 4.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.013 0.925 . . . . 0.0 113.313 -169.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.21 141.23 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.646 0.657 . . . . 0.0 110.836 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -131.59 142.54 49.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.871 1.269 . . . . 0.0 109.079 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -124.75 144.1 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.547 1.139 . . . . 0.0 108.198 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -135.28 141.97 45.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.341 0.657 . . . . 0.0 110.405 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.45 120.39 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.4 -40.24 10.48 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -177.41 43.54 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.894 168.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.97 149.04 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.653 0.781 . . . . 0.0 110.455 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 m -143.76 101.86 3.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.628 1.171 . . . . 0.0 108.727 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.55 24.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -169.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.56 0.18 56.51 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.912 0.885 . . . . 0.0 112.004 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -87.45 152.89 21.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 110.734 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.76 125.35 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 124.356 1.062 . . . . 0.0 108.653 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -84.64 113.52 21.33 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -119.13 134.06 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.969 1.308 . . . . 0.0 109.222 -174.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.29 141.78 15.4 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.052 0.834 . . . . 0.0 112.134 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -129.73 124.28 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 108.86 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -124.67 95.09 4.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.241 0.616 . . . . 0.0 110.174 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.77 157.24 78.38 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.29 1.036 . . . . 0.0 110.046 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -63.21 153.35 74.71 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.54 2.16 . . . . 0.0 111.162 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.73 -0.91 2.38 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.377 0.671 . . . . 0.0 112.641 171.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.86 -22.14 66.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.369 1.068 . . . . 0.0 111.249 169.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -125.27 147.36 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.195 0.998 . . . . 0.0 110.464 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.04 156.36 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.573 0.349 . . . . 0.0 111.144 174.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.25 132.79 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 169.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -153.68 164.62 37.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.151 0.581 . . . . 0.0 111.728 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 60.3 mtm-85 -78.98 155.73 28.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 166.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.54 -34.9 71.51 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.825 0.739 . . . . 0.0 111.539 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.98 -26.29 66.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.31 1.044 . . . . 0.0 113.491 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.9 mm -91.91 -37.1 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.929 0.892 . . . . 0.0 110.396 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.09 -35.09 59.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.972 1.309 . . . . 0.0 112.47 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.54 -29.2 67.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.13 -38.22 81.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.74 0.816 . . . . 0.0 111.829 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.471 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.44 113.38 25.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.019 1.728 . . . . 0.0 109.042 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -104.58 138.92 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.244 1.418 . . . . 0.0 109.215 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -131.85 166.66 21.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.951 1.3 . . . . 0.0 111.37 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.76 109.95 15.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 0.0 108.803 168.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -113.94 131.46 56.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.197 0.999 . . . . 0.0 109.701 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -77.73 157.57 30.02 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.969 0.804 . . . . 0.0 110.043 168.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -57.47 136.16 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.581 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.31 85.04 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.29 0.948 . . . . 0.0 114.127 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -96.51 176.32 6.07 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.989 1.395 . . . . 0.0 111.891 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -133.84 160.01 38.93 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -168.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -143.18 160.96 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 127.848 2.459 . . . . 0.0 108.565 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -139.76 153.02 47.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.076 0.95 . . . . 0.0 112.463 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.4 140.19 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.903 1.281 . . . . 0.0 109.127 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -136.84 50.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -124.51 9.97 8.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.115 0.966 . . . . 0.0 111.638 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.35 -10.83 2.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.76 137.93 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.78 0.718 . . . . 0.0 110.587 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -123.71 148.45 46.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.508 1.123 . . . . 0.0 109.787 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.52 141.35 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 125.402 1.481 . . . . 0.0 107.906 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -135.84 135.32 39.71 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.085 0.554 . . . . 0.0 109.664 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.24 102.34 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.12 -29.32 54.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.444 0.698 . . . . 0.0 110.899 -169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -170.54 38.78 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 122.842 0.258 . . . . 0.0 112.669 170.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.48 159.06 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.343 0.657 . . . . 0.0 110.886 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -143.54 73.37 1.39 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.015 0.926 . . . . 0.0 108.979 173.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.12 -113.43 3.66 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.83 -7.85 51.18 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.862 0.865 . . . . 0.0 110.199 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.69 157.51 25.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.129 0.966 . . . . 0.0 112.672 170.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 t -130.86 124.14 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 126.529 1.932 . . . . 0.0 106.841 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -92.63 115.58 28.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.61 127.77 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.177 0.591 . . . . 0.0 110.392 -168.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 135.05 12.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.38 138.44 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -138.08 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.057 0.543 . . . . 0.0 109.973 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.71 157.88 53.3 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.326 1.05 . . . . 0.0 110.007 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.7 151.62 84.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.185 1.923 . . . . 0.0 110.671 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.82 -1.62 7.6 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 175.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.09 -22.69 66.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.848 1.259 . . . . 0.0 111.621 168.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.51 160.02 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.191 0.996 . . . . 0.0 110.965 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.66 157.01 16.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.374 0.669 . . . . 0.0 112.616 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.28 121.98 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 122.949 0.5 . . . . 0.0 110.364 167.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -150.1 160.02 43.97 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.787 0.835 . . . . 0.0 111.501 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -63.82 159.45 19.49 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.656 169.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.56 -31.18 71.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.327 0.651 . . . . 0.0 111.64 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.35 -43.07 88.18 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 124.134 0.973 . . . . 0.0 111.945 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -86.25 -36.75 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.697 1.199 . . . . 0.0 110.422 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -52.3 -42.91 64.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.966 0.906 . . . . 0.0 110.885 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.23 -25.71 67.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -73.58 -42.33 61.73 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 118.964 0.802 . . . . 0.0 110.433 171.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.442 -178.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mm -108.11 140.99 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.345 1.058 . . . . 0.0 110.019 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 44.7 mt -138.63 162.55 34.32 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.071 1.349 . . . . 0.0 111.302 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.98 106.2 6.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 166.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -118.79 141.71 48.38 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.918 1.287 . . . . 0.0 110.221 -173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -100.43 168.82 9.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -59.02 136.11 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.396 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.88 -6.88 81.82 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.213 0.911 . . . . 0.0 114.302 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -91.08 168.1 11.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.743 1.272 . . . . 0.0 111.477 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -135.12 159.94 39.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -143.02 157.56 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.52 1.928 . . . . 0.0 107.913 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.84 149.23 47.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.94 141.39 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.847 1.259 . . . . 0.0 108.899 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -133.89 52.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -173.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -126.49 4.87 6.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.906 0.882 . . . . 0.0 111.501 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -133.82 -4.41 2.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.917 0.887 . . . . 0.0 113.381 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.34 136.42 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.764 0.711 . . . . 0.0 110.739 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -128.78 141.79 51.2 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.463 1.105 . . . . 0.0 109.9 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -121.81 140.08 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 125.298 1.439 . . . . 0.0 108.183 176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -137.06 126.2 24.56 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.021 0.529 . . . . 0.0 110.021 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.28 112.26 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 169.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.48 -33.54 48.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.491 0.317 . . . . 0.0 110.543 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 -175.39 36.51 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.101 0.382 . . . . 0.0 113.568 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.64 155.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 C-N-CA 123.488 0.715 . . . . 0.0 112.39 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -145.64 89.97 1.96 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.436 1.494 . . . . 0.0 109.212 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.41 -114.58 4.74 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.656 -0.653 . . . . 0.0 111.927 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -87.98 -18.61 28.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.718 0.759 . . . . 0.0 111.18 171.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.93 150.93 30.37 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.03 0.919 . . . . 0.0 111.041 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -144.46 110.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -86.39 124.61 32.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.42 133.06 57.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.048 0.539 . . . . 0.0 110.851 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.96 143.93 16.97 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.381 0.991 . . . . 0.0 111.918 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.95 124.81 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.257 1.423 . . . . 0.0 108.846 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -125.5 100.22 6.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.163 0.585 . . . . 0.0 109.742 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.25 155.66 72.27 Favored Pre-proline 0 N--CA 1.452 -0.36 0 C-N-CA 124.428 1.091 . . . . 0.0 110.495 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.64 158.88 34.88 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.708 2.272 . . . . 0.0 111.902 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -69.05 -0.77 6.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.41 0.684 . . . . 0.0 112.591 169.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -22.88 67.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.957 1.303 . . . . 0.0 111.562 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.86 156.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.178 0.991 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.0 157.3 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.764 0.426 . . . . 0.0 111.729 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.95 125.0 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.249 169.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -150.56 167.0 28.53 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.128 0.971 . . . . 0.0 110.865 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' F' ' 12' ' ' ILE . 49.8 ttt180 -66.51 154.52 40.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -58.24 -24.63 59.94 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.84 0.456 . . . . 0.0 111.708 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.99 -48.51 73.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.611 1.164 . . . . 0.0 111.795 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.49 -32.06 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.158 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.5 t80 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 123.452 0.701 . . . . 0.0 112.179 177.456 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.16 148.08 23.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 122.056 -0.402 . . . . 0.0 111.564 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.47 134.58 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.27 162.66 25.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 109.77 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.57 97.03 4.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.529 0.681 . . . . 0.0 109.559 169.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.544 ' HD3' HD11 ' F' ' 12' ' ' ILE . 2.9 ttp180 -104.91 162.11 13.62 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.097 1.359 . . . . 0.0 110.396 -175.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -117.05 172.15 7.46 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -56.37 136.23 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.506 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.06 -4.52 81.35 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.328 0.966 . . . . 0.0 114.777 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 10' ' ' GLU . . . . . 0.406 ' HB2' ' HE ' ' F' ' 6' ' ' ARG . 76.9 mm-40 -90.04 170.15 10.58 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.906 1.353 . . . . 0.0 112.297 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -137.79 153.92 49.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' F' ' 6' ' ' ARG . 50.4 mm -127.06 154.78 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 126.613 1.965 . . . . 0.0 108.431 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -121.68 148.13 44.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.618 0.767 . . . . 0.0 111.673 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -133.67 144.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.676 1.19 . . . . 0.0 108.943 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.29 -132.17 51.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.43 7.82 7.05 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.626 0.77 . . . . 0.0 111.785 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -139.34 -14.01 1.14 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -101.74 138.12 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.966 0.803 . . . . 0.0 110.291 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -127.21 142.52 51.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.131 0.973 . . . . 0.0 110.321 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -122.47 139.69 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 125.249 1.42 . . . . 0.0 108.321 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.2 m -135.84 137.57 41.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.697 0.799 . . . . 0.0 110.3 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 22' ' ' ILE . . . . . 0.416 HG22 HH21 ' F' ' 6' ' ' ARG . 2.6 tp -94.58 109.22 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.74 -32.57 52.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.116 -0.365 . . . . 0.0 110.523 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.66 -174.89 37.39 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 122.885 0.279 . . . . 0.0 113.515 169.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -117.85 159.64 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.573 0.749 . . . . 0.0 112.117 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.05 90.09 1.65 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.55 1.14 . . . . 0.0 109.039 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.44 -102.97 1.25 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 121.88 -0.512 . . . . 0.0 111.997 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -99.81 -19.64 16.59 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.475 0.637 . . . . 0.0 112.001 171.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -74.61 145.11 43.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.348 0.594 . . . . 0.0 110.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -137.23 112.73 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -174.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -88.16 125.3 34.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.298 0.639 . . . . 0.0 109.658 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.34 142.25 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.419 1.088 . . . . 0.0 110.122 -168.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.39 140.4 16.31 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 123.962 0.791 . . . . 0.0 111.359 170.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mt -127.72 136.13 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.365 1.066 . . . . 0.0 109.312 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -131.52 107.4 8.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.549 0.74 . . . . 0.0 109.504 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.11 158.09 76.48 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.935 0.894 . . . . 0.0 111.579 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.48 162.35 37.05 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.148 2.565 . . . . 0.0 112.357 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -66.05 -15.85 63.41 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.012 0.925 . . . . 0.0 112.198 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -18.46 65.32 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.889 1.276 . . . . 0.0 112.468 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.01 163.1 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.727 0.811 . . . . 0.0 110.974 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.52 161.94 14.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.506 171.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.09 126.61 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.016 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -155.03 171.58 19.51 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.823 0.849 . . . . 0.0 110.562 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -73.29 161.85 30.03 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 167.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.52 -25.59 68.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.906 -0.496 . . . . 0.0 112.214 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.74 -43.41 80.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -90.91 -29.82 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.419 0.688 . . . . 0.0 110.127 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 123.737 0.815 . . . . 0.0 113.025 177.707 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.082 -0.485 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.52 112.32 24.67 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.51 0.724 . . . . 0.0 109.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.63 135.15 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.828 0.851 . . . . 0.0 109.921 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.8 mt -132.26 156.45 46.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 109.609 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -117.86 100.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.91 138.85 49.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.845 0.858 . . . . 0.0 110.64 -168.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -103.13 157.05 17.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.627 0.371 . . . . 0.0 110.44 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.53 122.94 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.667 0.787 . . . . 0.0 110.894 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.27 -2.29 65.39 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.177 0.894 . . . . 0.0 113.989 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -98.4 165.17 11.97 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.494 1.147 . . . . 0.0 111.415 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -132.94 157.85 44.09 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mm -116.5 160.55 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.654 1.981 . . . . 0.0 108.491 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -131.48 137.82 48.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.528 1.131 . . . . 0.0 109.94 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -130.76 132.21 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.06 0.944 . . . . 0.0 109.225 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -131.98 36.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -122.92 -0.65 8.98 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -131.99 -21.78 2.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mt -100.64 140.38 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 118.774 0.716 . . . . 0.0 110.704 -170.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -131.62 138.19 48.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.448 1.099 . . . . 0.0 109.402 172.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -119.77 139.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.326 1.05 . . . . 0.0 108.227 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.4 m -135.61 131.63 36.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.849 0.75 . . . . 0.0 110.061 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.98 97.26 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.85 -31.89 68.75 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.813 -0.554 . . . . 0.0 110.689 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.62 -177.2 44.56 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 113.795 0.278 . . . . 0.0 113.795 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.22 152.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -137.19 60.98 1.63 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.497 1.119 . . . . 0.0 109.612 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.29 -120.86 5.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.45 -11.85 58.24 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.557 0.743 . . . . 0.0 112.003 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -98.99 150.52 21.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.922 0.868 . . . . 0.0 112.167 171.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -127.31 138.59 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.745 2.018 . . . . 0.0 108.151 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm105 -119.21 107.6 13.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.344 0.592 . . . . 0.0 110.698 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.7 mt -111.99 135.72 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.53 1.532 . . . . 0.0 109.269 -170.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.05 138.45 13.9 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 123.691 0.662 . . . . 0.0 111.558 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -111.75 131.48 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.16 1.384 . . . . 0.0 108.111 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -121.29 74.97 1.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.226 1.01 . . . . 0.0 109.23 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.75 155.2 40.24 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.665 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 154.26 59.94 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.394 2.062 . . . . 0.0 110.473 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -68.87 -4.34 16.0 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -68.7 -25.67 64.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.87 0.868 . . . . 0.0 112.032 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.35 143.96 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.935 0.874 . . . . 0.0 111.9 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.95 27.43 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.329 1.052 . . . . 0.0 110.749 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.98 129.56 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.913 0.485 . . . . 0.0 110.053 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -150.16 158.5 44.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.009 0.524 . . . . 0.0 111.715 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -69.63 160.7 31.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.154 0.582 . . . . 0.0 110.471 169.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.78 -38.78 89.31 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -78.52 1.55 22.04 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.0 -11.22 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.862 1.265 . . . . 0.0 111.034 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.367 0 O-C-N 120.377 -1.452 . . . . 0.0 110.384 172.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.669 -0.205 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.36 120.73 40.6 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.266 1.427 . . . . 0.0 107.228 169.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 64.5 mt -116.28 132.77 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 112.013 -165.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.4 mt -136.37 142.54 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.771 1.228 . . . . 0.0 110.662 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -107.88 128.89 55.02 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.293 0.637 . . . . 0.0 109.747 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -130.58 126.45 36.74 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.85 1.26 . . . . 0.0 110.604 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -75.25 153.05 38.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.631 167.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -57.19 125.75 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.503 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.69 -8.8 58.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 118.885 -0.953 . . . . 0.0 115.242 -173.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -87.71 169.7 11.88 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.318 1.559 . . . . 0.0 111.647 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -141.32 158.14 44.27 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -168.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -133.4 154.68 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 127.148 2.179 . . . . 0.0 108.642 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 144.3 50.87 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.522 1.129 . . . . 0.0 110.846 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -133.44 129.88 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.527 1.131 . . . . 0.0 109.417 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.85 51.59 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -124.6 4.97 8.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.849 0.86 . . . . 0.0 112.632 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.5 -21.79 10.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.51 138.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 118.982 0.81 . . . . 0.0 111.481 -169.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -134.47 149.04 50.68 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.96 1.304 . . . . 0.0 110.029 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mm -129.91 139.48 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.815 1.646 . . . . 0.0 108.449 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -135.91 129.13 31.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.256 0.623 . . . . 0.0 110.322 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.75 109.77 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 169.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.56 -33.08 54.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.022 -0.424 . . . . 0.0 110.816 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.08 178.3 35.85 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 122.563 0.125 . . . . 0.0 112.992 171.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -111.02 152.47 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.134 0.492 . . . . 0.0 110.78 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -133.39 78.14 1.76 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.629 1.172 . . . . 0.0 108.695 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -115.97 4.75 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.09 6.43 44.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 151.32 21.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.206 1.002 . . . . 0.0 110.072 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.11 116.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.55 116.65 23.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.423 1.089 . . . . 0.0 109.514 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.44 131.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.397 1.079 . . . . 0.0 109.851 -169.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.48 139.33 14.48 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.16 131.2 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.849 0.833 . . . . 0.0 109.22 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.17 78.18 1.8 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.6 -167.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.08 157.04 65.2 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 109.287 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -58.72 154.54 42.66 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.724 1.616 . . . . 0.0 109.634 168.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -0.63 11.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.792 0.806 . . . . 0.0 110.908 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -26.19 67.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.267 1.827 . . . . 0.0 111.261 172.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -108.02 144.05 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.369 1.068 . . . . 0.0 109.966 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.11 141.57 29.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 111.374 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.18 97.54 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.322 -166.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.23 161.61 41.67 Favored 'General case' 0 N--CA 1.458 -0.045 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -69.45 161.08 30.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.011 0.924 . . . . 0.0 111.833 170.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.29 -46.37 69.31 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 123.617 0.767 . . . . 0.0 112.727 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.93 -14.83 62.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -93.34 -50.1 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.371 0.669 . . . . 0.0 110.495 170.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -47.49 -42.94 23.96 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 111.218 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.72 -15.3 62.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.794 1.238 . . . . 0.0 114.262 -169.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.548 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.0 mpt_? -89.06 -33.2 17.21 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.257 0.935 . . . . 0.0 112.033 172.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.87 -62.08 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.119 0.967 . . . . 0.0 112.565 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 2.38 2.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.652 -0.655 . . . . 0.0 112.552 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.16 -20.18 60.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.332 0.653 . . . . 0.0 111.991 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.33 31.68 0.06 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.174 -0.792 . . . . 0.0 114.839 169.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -168.48 -172.98 1.82 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.448 1.124 . . . . 0.0 112.656 -167.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -133.96 -167.7 2.0 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.753 1.221 . . . . 0.0 109.569 168.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 126.4 4.48 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.729 0.812 . . . . 0.0 111.438 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.88 147.96 30.84 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.907 3.072 . . . . 0.0 114.01 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t0 . . . . . 0 N--CA 1.455 -0.202 0 C-N-CA 125.216 1.406 . . . . 0.0 112.881 173.031 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.31 106.55 14.46 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 167.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.49 134.71 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.72 0.808 . . . . 0.0 109.23 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -128.7 134.94 48.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.269 0.628 . . . . 0.0 109.497 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -99.43 134.18 42.67 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.164 0.985 . . . . 0.0 110.367 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.497 HH11 HD12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -146.03 160.99 41.11 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.544 167.545 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -85.09 160.22 20.02 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.49 1.116 . . . . 0.0 109.428 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.72 138.91 19.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 O-C-N 121.708 -0.62 . . . . 0.0 111.63 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.58 83.53 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.673 1.13 . . . . 0.0 114.467 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.69 -175.95 4.82 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.429 1.615 . . . . 0.0 112.922 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.55 151.41 47.29 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 124.561 1.144 . . . . 0.0 113.141 -166.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.82 150.85 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 108.855 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.52 147.55 45.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.543 1.137 . . . . 0.0 111.923 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -132.72 129.38 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.44 1.096 . . . . 0.0 108.706 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.65 -139.55 42.28 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.01 10.01 10.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.077 0.951 . . . . 0.0 111.915 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -116.77 -19.4 9.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.254 1.021 . . . . 0.0 113.026 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.01 139.67 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.798 0.726 . . . . 0.0 111.126 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -129.44 141.85 50.93 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.487 1.115 . . . . 0.0 109.566 172.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.94 135.31 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.925 1.29 . . . . 0.0 108.384 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -122.58 141.73 51.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.875 0.87 . . . . 0.0 110.054 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -101.95 116.16 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.74 -39.33 13.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -177.75 42.24 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.594 -0.336 . . . . 0.0 113.749 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.01 148.58 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.315 0.646 . . . . 0.0 110.906 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -147.26 112.58 5.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.964 1.306 . . . . 0.0 108.114 170.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.47 -142.02 29.56 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.441 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.86 5.27 29.51 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.365 0.666 . . . . 0.0 110.952 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.97 144.78 25.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.934 1.694 . . . . 0.0 110.715 -174.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.14 119.91 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -81.88 115.47 21.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.484 0.584 . . . . 0.0 109.523 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -116.99 127.01 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.272 1.429 . . . . 0.0 109.509 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.35 141.21 17.3 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.074 1.321 . . . . 0.0 111.86 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.61 132.16 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.91 92.04 2.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.334 0.653 . . . . 0.0 109.482 -173.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.22 154.7 80.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.031 0.932 . . . . 0.0 110.033 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.02 151.48 81.3 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.438 2.092 . . . . 0.0 110.895 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.33 -1.06 3.02 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.43 0.692 . . . . 0.0 112.446 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -23.64 66.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.473 1.109 . . . . 0.0 111.426 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.61 147.5 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.081 0.953 . . . . 0.0 110.544 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.07 155.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.187 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.0 130.27 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 169.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -153.94 162.19 41.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.038 0.535 . . . . 0.0 111.691 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -81.42 160.37 24.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 166.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.89 -36.3 76.66 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -168.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.36 -21.27 62.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -93.99 -36.11 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.406 0.683 . . . . 0.0 110.636 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -51.68 -36.32 46.07 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.153 0.981 . . . . 0.0 112.492 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.93 -30.24 67.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.744 0.818 . . . . 0.0 112.481 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -67.87 -38.06 82.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.542 0.737 . . . . 0.0 111.77 174.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.75 107.28 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.79 140.3 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.383 1.073 . . . . 0.0 108.898 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.77 158.91 38.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 110.858 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 109.87 21.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 165.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -111.4 130.87 55.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.521 0.329 . . . . 0.0 110.6 -177.324 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -77.04 153.35 34.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.283 170.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -57.95 136.54 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -3.82 85.89 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.004 -0.886 . . . . 0.0 114.205 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.47 168.49 12.15 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.951 1.376 . . . . 0.0 111.836 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -126.79 155.59 42.58 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 112.818 -169.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -140.14 161.08 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 126.961 2.104 . . . . 0.0 108.472 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -141.5 151.31 43.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.154 0.981 . . . . 0.0 111.955 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -134.86 138.27 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 109.087 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -135.39 52.02 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -124.45 8.95 8.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.054 0.942 . . . . 0.0 111.807 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.67 -11.27 2.72 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.57 137.23 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 118.736 0.698 . . . . 0.0 110.582 -171.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -121.01 149.25 42.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.56 1.144 . . . . 0.0 109.719 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -132.36 145.55 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.886 1.675 . . . . 0.0 107.498 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -143.54 129.41 19.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.627 -0.671 . . . . 0.0 109.965 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ILE . . . . . 0.4 HG22 ' H ' ' D' ' 22' ' ' ILE . 2.2 tp -84.86 96.91 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 173.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.44 -28.52 62.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.97 -0.456 . . . . 0.0 110.82 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.48 40.04 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.106 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -108.03 158.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.833 0.853 . . . . 0.0 110.401 169.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.9 t -145.24 76.72 1.49 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 109.645 171.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.85 -113.36 3.66 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.446 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 8.9 mp0 -99.69 -0.27 40.48 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.473 0.709 . . . . 0.0 110.656 171.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -78.74 160.05 27.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 111.817 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -134.04 124.77 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.62 169.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -84.54 115.35 22.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.051 0.94 . . . . 0.0 108.845 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.497 HD12 HH11 ' C' ' 6' ' ' ARG . 1.8 mt -121.19 119.87 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 O-C-N 123.71 0.631 . . . . 0.0 109.315 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.7 132.12 11.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mt -121.68 135.94 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -138.04 89.86 2.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.232 0.539 . . . . 0.0 109.799 -169.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.36 158.54 61.0 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 124.749 1.22 . . . . 0.0 109.7 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -62.14 151.16 83.59 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.876 1.717 . . . . 0.0 110.205 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -65.16 -0.74 1.81 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.308 0.643 . . . . 0.0 112.459 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.0 -24.82 66.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.066 1.346 . . . . 0.0 111.433 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.79 159.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.546 1.138 . . . . 0.0 110.934 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 157.04 16.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.14 123.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.891 0.477 . . . . 0.0 110.473 168.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -149.62 155.82 40.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.897 0.879 . . . . 0.0 110.965 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -69.36 160.01 32.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.031 -0.418 . . . . 0.0 110.608 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.19 -32.52 71.16 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.61 0.764 . . . . 0.0 112.056 -170.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.67 -43.49 72.48 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 124.488 1.115 . . . . 0.0 112.137 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -88.74 -37.13 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.514 1.126 . . . . 0.0 110.649 -170.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -50.44 -41.3 52.44 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 170.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -67.71 -25.6 65.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -76.42 -35.2 58.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 119.268 0.94 . . . . 0.0 111.164 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -176.596 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.5 0.191 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.26 137.78 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.143 0.977 . . . . 0.0 109.192 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.66 164.16 26.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 110.898 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 105.59 8.0 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 166.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -112.4 128.98 56.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.432 1.493 . . . . 0.0 109.863 -171.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -93.05 165.15 12.99 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.719 1.145 . . . . 0.0 112.575 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -59.79 137.9 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.45 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.53 -3.65 83.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.06 0.838 . . . . 0.0 114.114 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -97.0 172.64 7.72 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.673 1.236 . . . . 0.0 111.341 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -132.72 158.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -169.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.83 157.19 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 127.147 2.179 . . . . 0.0 108.144 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -135.86 149.07 48.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.581 -0.7 . . . . 0.0 112.827 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.45 134.23 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.716 1.206 . . . . 0.0 109.021 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.23 -138.64 48.64 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.39 9.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.946 0.898 . . . . 0.0 112.517 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -126.08 -14.5 6.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.12 135.56 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 119.215 0.916 . . . . 0.0 111.165 -170.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -125.94 143.31 51.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.651 1.181 . . . . 0.0 109.823 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -123.7 141.04 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.194 1.398 . . . . 0.0 108.117 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -136.78 126.09 24.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.925 0.49 . . . . 0.0 109.952 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.82 102.62 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.03 -29.79 63.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.097 -0.377 . . . . 0.0 110.927 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.06 -173.65 34.66 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 123.379 0.514 . . . . 0.0 113.537 170.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.72 159.91 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 124.033 0.933 . . . . 0.0 111.861 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.94 93.77 2.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.528 1.131 . . . . 0.0 109.084 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.45 -112.91 4.97 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.25 -22.33 19.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 117.519 0.659 . . . . 0.0 111.564 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.01 140.36 52.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.341 0.591 . . . . 0.0 109.932 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.23 115.48 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -91.56 122.79 34.45 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.315 0.646 . . . . 0.0 109.539 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.01 131.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.351 0.66 . . . . 0.0 110.717 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.84 140.2 14.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.517 1.056 . . . . 0.0 111.276 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -131.42 125.92 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.715 1.206 . . . . 0.0 108.891 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -126.38 98.99 5.65 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.78 73.87 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.0 110.569 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.58 158.63 40.48 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.016 2.477 . . . . 0.0 112.08 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -72.11 -0.99 13.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 171.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.95 -22.59 66.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.412 1.085 . . . . 0.0 111.484 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.25 157.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.277 1.031 . . . . 0.0 110.435 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.58 160.22 14.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.98 127.98 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.105 0.562 . . . . 0.0 110.406 170.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -151.59 169.05 23.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.662 0.785 . . . . 0.0 111.119 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.0 155.82 39.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.53 -31.06 69.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.204 0.457 . . . . 0.0 111.76 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.76 -41.53 70.56 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.644 1.178 . . . . 0.0 112.229 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -89.89 -34.65 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.424 1.09 . . . . 0.0 109.737 -172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 125.078 1.351 . . . . 0.0 112.987 -179.37 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.178 0.066 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.18 150.0 20.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.18 -0.325 . . . . 0.0 111.442 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.26 130.9 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 169.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.8 mt -127.3 156.36 42.06 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.726 1.21 . . . . 0.0 109.293 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -130.48 98.53 4.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 168.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 162.01 18.51 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 122.83 0.452 . . . . 0.0 110.723 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -106.36 175.27 5.56 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 122.934 0.494 . . . . 0.0 111.318 -172.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.76 137.76 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.02 84.33 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.106 0.86 . . . . 0.0 115.051 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -85.41 170.92 12.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 119.066 1.433 . . . . 0.0 112.293 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -133.0 150.06 52.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.872 0.869 . . . . 0.0 112.078 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -134.62 158.03 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 126.269 1.828 . . . . 0.0 107.746 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -133.57 149.52 51.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.43 0.692 . . . . 0.0 112.241 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.64 140.31 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.637 1.175 . . . . 0.0 109.028 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.57 -134.76 51.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.92 10.15 6.98 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -131.39 -21.21 2.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.91 138.6 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.385 0.993 . . . . 0.0 111.25 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -129.27 143.97 51.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.631 1.172 . . . . 0.0 110.628 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -125.04 129.28 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.3 1.44 . . . . 0.0 108.966 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -127.94 126.78 42.1 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.354 0.662 . . . . 0.0 110.384 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -85.82 111.88 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.38 -34.02 42.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.847 0.459 . . . . 0.0 110.268 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.56 -174.32 36.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.958 0.313 . . . . 0.0 113.465 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.9 160.37 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.738 0.815 . . . . 0.0 112.004 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.34 91.3 1.81 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.426 1.09 . . . . 0.0 109.218 169.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.78 -102.99 1.2 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -99.43 -18.26 17.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.394 0.597 . . . . 0.0 112.212 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.9 144.63 41.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.045 0.538 . . . . 0.0 110.535 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.03 111.19 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.33 120.54 30.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.235 0.614 . . . . 0.0 109.659 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.08 134.53 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.242 1.017 . . . . 0.0 110.146 -169.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.53 144.88 16.04 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.037 0.827 . . . . 0.0 111.369 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 64.0 mt -134.46 125.1 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.839 0.856 . . . . 0.0 109.279 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -118.18 103.88 10.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.066 0.946 . . . . 0.0 108.957 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.89 76.92 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.954 0.902 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.93 160.52 40.85 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.781 2.321 . . . . 0.0 112.263 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -64.74 -11.6 38.12 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.33 -14.48 61.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.804 1.242 . . . . 0.0 112.482 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -126.31 163.82 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.911 0.884 . . . . 0.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.94 162.97 13.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.364 0.666 . . . . 0.0 111.499 171.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.1 119.99 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.401 0.68 . . . . 0.0 110.153 172.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -152.26 173.28 15.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.779 0.832 . . . . 0.0 110.603 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.37 160.88 31.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.12 -22.3 66.88 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.47 -43.5 93.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.421 1.088 . . . . 0.0 111.731 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -87.44 -30.73 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 0.0 112.8 177.186 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 118.964 -0.541 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.99 113.65 25.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.344 0.658 . . . . 0.0 109.919 -174.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -98.74 134.79 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.36 152.5 50.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.75 0.82 . . . . 0.0 109.937 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.5 m -128.05 100.95 6.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.797 0.839 . . . . 0.0 109.536 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -129.12 152.34 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.936 0.494 . . . . 0.0 111.08 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 162.56 13.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.631 0.773 . . . . 0.0 111.475 -177.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 ' HA2' ' A' ' 24' ' ' GLY . 56.0 t -43.3 129.88 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.318 1.047 . . . . 0.0 111.373 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.53 -6.04 70.74 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.294 0.949 . . . . 0.0 113.989 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -93.59 170.83 9.3 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.621 1.21 . . . . 0.0 112.177 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -139.27 154.84 48.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.0 mm -123.06 158.03 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 126.577 1.951 . . . . 0.0 109.715 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -128.04 139.71 52.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.303 1.041 . . . . 0.0 111.217 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -134.42 135.62 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.43 1.092 . . . . 0.0 109.425 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.63 -129.99 25.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.34 -0.6 6.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.0 0.92 . . . . 0.0 112.224 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -137.04 -15.43 1.51 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -169.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.41 137.55 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.394 0.678 . . . . 0.0 110.968 -168.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -138.94 127.84 23.62 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.319 0.647 . . . . 0.0 110.315 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -108.8 145.51 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.413 1.085 . . . . 0.0 108.998 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.7 m -138.4 135.01 34.86 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.208 0.603 . . . . 0.0 110.278 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -86.25 95.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 169.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.01 -26.83 65.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.983 -0.448 . . . . 0.0 110.316 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.45 -167.94 41.03 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 117.764 0.256 . . . . 0.0 113.607 169.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.85 146.1 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.779 0.832 . . . . 0.0 110.605 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 m -136.41 64.4 1.55 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.877 1.271 . . . . 0.0 109.814 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.12 -120.38 7.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.94 -4.33 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.442 0.697 . . . . 0.0 111.921 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -98.96 159.18 15.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.623 0.725 . . . . 0.0 111.69 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.07 133.72 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.227 1.411 . . . . 0.0 108.755 -170.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -102.09 101.84 12.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.666 0.786 . . . . 0.0 109.194 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.84 134.11 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.376 1.07 . . . . 0.0 109.887 -173.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.57 144.61 17.64 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.902 0.763 . . . . 0.0 111.997 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.26 130.7 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.414 1.486 . . . . 0.0 108.536 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -116.97 74.93 0.94 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.687 0.795 . . . . 0.0 109.613 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.82 153.26 39.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.233 0.613 . . . . 0.0 110.994 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.29 155.04 51.56 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.62 2.213 . . . . 0.0 110.247 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -67.87 -4.3 12.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -71.03 -20.22 62.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 112.17 170.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -119.14 144.07 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.946 0.879 . . . . 0.0 111.549 170.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.79 143.06 36.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.774 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.74 126.95 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-N 118.399 0.545 . . . . 0.0 110.404 170.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -153.51 -175.99 5.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.963 0.905 . . . . 0.0 110.458 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 172.59 12.09 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 170.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.92 -36.59 74.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.773 1.229 . . . . 0.0 113.583 -166.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.53 -12.69 58.86 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.57 -28.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.607 1.163 . . . . 0.0 111.235 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.452 -0.338 0 O-C-N 121.546 -0.721 . . . . 0.0 110.847 -177.342 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -114.82 124.77 52.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.1 139.41 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -165.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -134.42 143.56 47.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.024 1.33 . . . . 0.0 110.766 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m -119.39 105.6 11.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -130.91 155.7 46.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.534 0.734 . . . . 0.0 110.34 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -90.69 164.76 14.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.18 131.14 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.238 0.542 . . . . 0.0 110.315 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.21 -5.26 62.98 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.121 -0.822 . . . . 0.0 114.822 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.71 158.89 20.64 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.119 1.46 . . . . 0.0 112.752 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -121.2 146.13 47.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.488 1.115 . . . . 0.0 111.772 -171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.97 152.81 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.877 1.671 . . . . 0.0 108.664 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -137.25 143.14 42.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.574 -0.704 . . . . 0.0 112.732 -169.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.78 132.65 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.468 1.107 . . . . 0.0 109.853 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -139.88 47.88 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.664 0.65 . . . . 0.0 111.513 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.85 0.99 12.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.893 0.877 . . . . 0.0 111.852 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -120.87 -16.57 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.75 0.82 . . . . 0.0 113.184 -169.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.59 135.86 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.716 0.769 . . . . 0.0 110.904 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 147.89 50.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.522 1.129 . . . . 0.0 109.535 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.0 mm -127.92 144.01 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.876 1.671 . . . . 0.0 107.788 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -140.29 128.59 22.53 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -80.44 110.19 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -81.97 -29.36 32.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.977 -0.452 . . . . 0.0 110.912 -177.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -178.94 34.14 Favored Glycine 0 C--N 1.335 0.482 0 CA-C-O 120.9 0.166 . . . . 0.0 112.724 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -108.97 152.38 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.265 0.555 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -135.47 76.27 1.61 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.594 1.158 . . . . 0.0 108.37 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -114.45 4.02 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.87 15.5 22.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.177 0.489 . . . . 0.0 111.337 169.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -98.91 158.26 15.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.462 1.105 . . . . 0.0 109.544 169.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.76 116.58 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -84.45 116.28 23.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.239 1.416 . . . . 0.0 109.206 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -128.54 130.64 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.889 0.876 . . . . 0.0 110.034 -171.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.93 140.13 14.87 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 123.593 0.616 . . . . 0.0 111.85 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.8 mt -123.78 130.59 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.155 0.982 . . . . 0.0 108.896 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -132.53 79.34 1.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.649 -168.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.65 158.49 64.79 Favored Pre-proline 0 N--CA 1.45 -0.45 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.812 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.3 156.47 40.44 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.09 1.86 . . . . 0.0 111.166 169.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -67.63 -0.7 4.17 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.572 0.749 . . . . 0.0 112.3 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.86 -27.55 68.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.372 1.469 . . . . 0.0 111.317 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -109.47 144.15 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.629 1.172 . . . . 0.0 110.11 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 141.41 29.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 170.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t -144.29 97.39 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.856 -167.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.78 163.97 32.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 C-N-CA 123.941 0.896 . . . . 0.0 110.293 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 16.4 ptt180 -66.98 157.6 32.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.111 -0.368 . . . . 0.0 111.78 170.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -53.05 -38.68 62.67 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.751 0.82 . . . . 0.0 112.012 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.22 -52.62 20.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.753 0.821 . . . . 0.0 111.57 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -73.88 -43.9 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.264 1.026 . . . . 0.0 110.864 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -50.79 -37.31 41.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.315 1.046 . . . . 0.0 112.0 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.02 -26.69 66.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.4 mpt_? -79.06 -39.1 34.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.94 0.791 . . . . 0.0 110.326 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.59 -41.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -78.89 5.03 12.46 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.39 -18.12 49.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.852 0.461 . . . . 0.0 111.612 169.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.65 46.33 0.09 OUTLIER Glycine 0 C--N 1.338 0.659 0 CA-C-O 119.449 -0.64 . . . . 0.0 114.345 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -176.46 2.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.914 0.857 . . . . 0.0 112.815 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -125.92 178.3 5.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.277 1.431 . . . . 0.0 109.577 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 120.79 1.86 Allowed Pre-proline 0 N--CA 1.454 -0.239 0 C-N-CA 124.35 1.06 . . . . 0.0 111.797 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -56.33 129.48 35.0 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.091 2.527 . . . . 0.0 112.722 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 CA--C 1.529 0.139 0 C-N-CA 126.513 1.925 . . . . 0.0 114.827 172.431 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.15 108.73 19.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 168.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.0 134.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.689 0.795 . . . . 0.0 109.412 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -128.98 135.01 48.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.144 0.978 . . . . 0.0 109.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -93.93 143.8 26.02 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.974 0.51 . . . . 0.0 110.649 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -146.06 124.03 12.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.525 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -76.51 151.81 36.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.85 137.89 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 O-C-N 121.77 -0.581 . . . . 0.0 112.127 -174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.75 -2.97 84.85 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.654 1.121 . . . . 0.0 114.129 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -93.06 174.86 7.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.082 1.441 . . . . 0.0 112.082 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -131.62 161.24 33.16 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mt -141.68 158.56 21.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 128.255 2.622 . . . . 0.0 107.749 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.94 150.55 51.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.238 -0.914 . . . . 0.0 112.243 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -132.21 133.84 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.507 1.123 . . . . 0.0 108.81 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 -140.63 45.09 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.688 0.661 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -116.06 4.27 13.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.751 1.221 . . . . 0.0 111.163 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -125.23 -14.46 6.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -169.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.98 139.36 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 118.873 0.76 . . . . 0.0 111.115 -169.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 50.1 m -122.33 142.79 50.13 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.605 1.162 . . . . 0.0 109.551 171.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 mm -122.97 139.16 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.027 1.331 . . . . 0.0 108.071 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -138.37 133.04 32.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.797 -0.564 . . . . 0.0 110.484 -174.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -90.2 117.46 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.38 -37.86 12.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.097 -0.377 . . . . 0.0 110.198 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.41 -171.8 44.19 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.908 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.76 154.58 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.283 0.633 . . . . 0.0 111.615 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -146.73 110.46 4.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.833 1.253 . . . . 0.0 109.131 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -118.39 8.79 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -98.7 -7.71 27.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.5 ' HG3' ' CG ' ' D' ' 7' ' ' LYS . 7.0 mt-30 -77.08 149.8 35.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.738 0.78 . . . . 0.0 110.924 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' D' ' 30' ' ' VAL . 39.6 t -133.44 115.67 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -78.12 105.01 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -108.76 135.73 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 125.433 1.493 . . . . 0.0 108.932 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.98 137.21 14.05 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.65 1.119 . . . . 0.0 112.119 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.25 113.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.021 1.328 . . . . 0.0 107.887 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -122.26 89.98 3.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.687 -168.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.14 158.82 69.85 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.696 1.198 . . . . 0.0 110.142 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.51 150.96 82.96 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.394 2.063 . . . . 0.0 110.806 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.25 -0.9 1.96 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.662 0.785 . . . . 0.0 112.64 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.88 -22.19 66.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.374 1.069 . . . . 0.0 111.336 169.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.77 145.89 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.181 0.993 . . . . 0.0 110.316 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.69 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.611 0.365 . . . . 0.0 111.157 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -137.11 133.51 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -152.4 168.03 26.78 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.572 0.749 . . . . 0.0 110.555 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 27.2 ptt-85 -88.52 157.16 18.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 166.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -58.3 -35.78 72.35 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.241 0.616 . . . . 0.0 112.555 -168.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.2 -19.9 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.517 1.127 . . . . 0.0 113.497 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.41 -36.5 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.869 0.867 . . . . 0.0 110.815 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -51.59 -35.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.592 1.157 . . . . 0.0 112.686 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.16 -29.89 67.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.706 0.802 . . . . 0.0 112.582 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.58 -37.94 83.34 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.498 0.719 . . . . 0.0 111.735 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.454 -0.267 0 O-C-N 122.075 -0.391 . . . . 0.0 109.992 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -118.28 122.8 43.82 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.856 1.662 . . . . 0.0 108.982 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.61 135.44 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 109.913 -168.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.05 161.29 37.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.046 1.338 . . . . 0.0 111.51 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -105.62 116.98 32.86 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.27 133.73 53.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.564 0.746 . . . . 0.0 109.638 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' HG3' ' C' ' 29' ' ' GLN . 54.0 mttt -86.79 159.18 19.2 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 118.479 0.581 . . . . 0.0 111.356 172.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.35 137.35 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.2 0.524 . . . . 0.0 111.833 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.31 83.74 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.373 0.987 . . . . 0.0 114.109 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -94.69 175.62 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.879 1.34 . . . . 0.0 112.264 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.4 m -132.73 157.38 45.05 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 39.7 mt -137.73 161.56 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.705 2.402 . . . . 0.0 108.892 -177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.45 150.89 45.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.137 0.975 . . . . 0.0 112.419 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -135.85 139.26 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.815 1.246 . . . . 0.0 109.11 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.58 -136.52 51.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -123.61 9.91 9.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.196 0.998 . . . . 0.0 111.68 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.41 -13.23 2.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.72 137.58 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.678 0.672 . . . . 0.0 110.658 -172.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -122.87 149.85 43.66 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.411 1.084 . . . . 0.0 109.945 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -131.57 144.67 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 125.969 1.707 . . . . 0.0 107.701 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.97 130.16 26.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.17 100.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 171.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -75.45 -31.46 60.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.841 0.456 . . . . 0.0 110.712 -171.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.25 -175.73 41.67 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 121.971 -0.156 . . . . 0.0 113.237 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 m -107.9 156.47 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.654 0.781 . . . . 0.0 109.938 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -140.35 75.88 1.53 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.528 0.731 . . . . 0.0 109.372 169.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.41 -113.41 3.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.466 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.3 mp0 -95.55 -3.72 46.0 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.619 0.767 . . . . 0.0 110.395 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.14 155.92 31.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.579 0.704 . . . . 0.0 111.596 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' C' ' 30' ' ' VAL . 41.2 t -129.66 123.39 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.4 1.48 . . . . 0.0 107.124 168.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -94.49 111.3 23.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.1 124.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.529 0.731 . . . . 0.0 110.092 -169.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.29 139.23 14.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 71.4 mt -129.7 136.43 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -138.08 89.92 2.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.898 -0.501 . . . . 0.0 109.753 -171.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.88 155.63 60.28 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 124.501 1.12 . . . . 0.0 109.839 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.17 150.5 86.55 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.066 1.844 . . . . 0.0 110.488 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.87 -1.06 6.34 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.8 -23.31 66.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.831 1.252 . . . . 0.0 111.515 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.02 159.99 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.271 1.029 . . . . 0.0 110.629 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.87 157.06 17.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.069 0.548 . . . . 0.0 112.117 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 125.24 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 O-C-N 121.953 -0.467 . . . . 0.0 110.67 169.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -148.22 165.99 29.27 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 44' ' ' ARG . . . . . 0.443 ' HE ' ' CD ' ' D' ' 46' ' ' GLU . 72.6 mtm-85 -63.92 154.16 34.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 168.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.45 -26.59 68.02 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.584 -0.697 . . . . 0.0 111.651 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 46' ' ' GLU . . . . . 0.443 ' CD ' ' HE ' ' D' ' 44' ' ' ARG . 6.3 pt-20 -71.25 -23.76 62.05 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.891 0.876 . . . . 0.0 112.703 172.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -94.88 -35.83 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.903 1.281 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.59 -40.25 65.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.75 0.82 . . . . 0.0 110.884 173.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.38 -20.99 65.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -81.7 -37.76 26.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.973 0.806 . . . . 0.0 111.37 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 71.4 mt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 -177.638 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.345 0.117 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.68 140.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.987 0.915 . . . . 0.0 109.663 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.61 165.02 25.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.457 1.503 . . . . 0.0 111.28 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.5 103.84 6.64 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 167.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -110.46 128.89 55.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.623 1.569 . . . . 0.0 109.584 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.28 166.37 12.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 119.895 1.225 . . . . 0.0 112.383 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.01 139.35 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.381 -169.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.55 85.14 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.144 0.878 . . . . 0.0 114.146 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -96.55 176.5 6.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.637 1.218 . . . . 0.0 111.593 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -135.27 159.81 40.39 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -138.41 156.37 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 126.895 2.078 . . . . 0.0 108.258 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -133.71 148.51 51.45 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mt -137.11 135.43 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.741 1.217 . . . . 0.0 109.085 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.73 -139.09 47.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.44 10.05 7.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.962 0.905 . . . . 0.0 112.494 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -125.48 -14.2 6.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.85 135.07 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 119.243 0.929 . . . . 0.0 111.048 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -127.32 143.25 51.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.367 1.067 . . . . 0.0 109.938 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -122.55 140.67 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.982 1.313 . . . . 0.0 108.188 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 44.1 m -135.47 125.26 25.52 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.076 0.55 . . . . 0.0 110.08 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -79.85 103.5 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.03 -34.1 68.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.921 -0.487 . . . . 0.0 110.655 -175.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.15 -170.52 37.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.175 0.417 . . . . 0.0 113.655 169.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -122.8 161.41 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.972 0.909 . . . . 0.0 111.797 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.5 91.61 1.84 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.328 1.051 . . . . 0.0 109.306 169.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -103.02 1.34 Allowed Glycine 0 CA--C 1.525 0.665 0 O-C-N 121.835 -0.541 . . . . 0.0 111.784 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.05 -18.84 16.07 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.436 0.618 . . . . 0.0 112.003 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -70.55 145.73 50.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.93 118.84 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -95.88 122.19 38.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.679 0.791 . . . . 0.0 109.55 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.9 126.89 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.491 0.317 . . . . 0.0 110.889 -167.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.81 140.47 15.91 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.399 0.999 . . . . 0.0 111.413 172.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -130.1 122.41 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 124.979 1.312 . . . . 0.0 108.764 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -122.22 99.02 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 109.276 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.55 71.91 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.283 1.033 . . . . 0.0 110.443 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.59 158.67 40.36 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -71.59 -0.93 11.87 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.518 0.727 . . . . 0.0 112.679 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.01 -23.82 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.83 1.252 . . . . 0.0 112.147 169.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.05 160.99 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.827 0.851 . . . . 0.0 111.111 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.49 155.78 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 124.68 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.127 0.571 . . . . 0.0 109.736 168.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -148.67 170.59 17.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.706 0.802 . . . . 0.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -65.25 157.88 27.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.74 -26.94 68.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.098 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -60.03 -45.25 93.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.957 1.303 . . . . 0.0 111.996 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -84.49 -32.29 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.673 0.789 . . . . 0.0 110.226 -173.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.552 1.141 . . . . 0.0 112.767 179.171 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.21 147.44 25.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.288 0.495 . . . . 0.0 111.6 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.18 126.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.28 149.45 32.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 108.801 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.69 97.0 4.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 168.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.0 51.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.737 0.815 . . . . 0.0 111.163 -174.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -94.91 173.61 7.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -171.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -57.91 138.04 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.101 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -7.75 76.99 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.042 -0.866 . . . . 0.0 114.64 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.86 176.04 9.91 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.177 1.489 . . . . 0.0 112.412 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 33.7 m -146.44 155.1 42.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.041 0.936 . . . . 0.0 111.173 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -135.76 155.99 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 126.292 1.837 . . . . 0.0 108.006 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -130.27 151.85 50.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.254 -0.904 . . . . 0.0 112.501 -176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -136.48 140.87 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.741 1.216 . . . . 0.0 109.152 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.13 -139.27 48.87 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -119.51 10.06 11.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.07 0.948 . . . . 0.0 111.797 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.21 -15.33 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.61 137.09 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.22 0.918 . . . . 0.0 110.903 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -128.41 143.68 51.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.438 1.095 . . . . 0.0 110.65 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.36 138.15 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.961 1.705 . . . . 0.0 108.283 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -136.84 132.21 34.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.825 0.85 . . . . 0.0 109.984 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 22' ' ' ILE . . . . . 0.403 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.3 tp -88.54 110.79 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.9 -28.92 55.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.026 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.26 -168.41 30.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 123.826 0.727 . . . . 0.0 113.08 168.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -122.72 158.42 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 C-N-CA 123.598 0.759 . . . . 0.0 111.964 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -143.84 89.97 2.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.023 1.329 . . . . 0.0 109.084 169.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -105.91 1.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.76 -20.11 19.78 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.259 0.529 . . . . 0.0 111.901 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -74.28 143.79 44.87 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.163 0.585 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.06 111.34 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -87.62 124.33 33.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.3 134.13 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.756 0.822 . . . . 0.0 110.101 -168.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.06 137.92 13.68 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.31 138.62 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 109.61 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -127.4 110.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.245 1.018 . . . . 0.0 108.899 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.09 157.87 77.07 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.807 0.843 . . . . 0.0 111.189 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.8 160.59 40.04 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.744 2.296 . . . . 0.0 112.106 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.55 -14.64 44.46 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.77 -14.86 61.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.533 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -128.1 164.93 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.881 0.872 . . . . 0.0 111.025 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.97 14.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.388 0.675 . . . . 0.0 111.517 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.64 119.3 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.367 0.667 . . . . 0.0 109.929 169.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -152.21 173.58 14.81 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.975 0.91 . . . . 0.0 110.225 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -78.01 161.31 27.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.96 -0.463 . . . . 0.0 110.103 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -62.03 -23.48 66.48 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -170.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.6 -47.21 85.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.988 0.915 . . . . 0.0 111.621 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.27 -28.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.703 0.801 . . . . 0.0 110.155 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 123.836 0.854 . . . . 0.0 112.423 175.159 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 109.73 22.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.929 . . . . 0.0 108.934 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.34 133.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 108.949 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.7 mt -131.57 158.82 39.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.507 1.123 . . . . 0.0 109.688 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -122.2 101.02 7.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -95.96 167.4 11.26 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.042 0.537 . . . . 0.0 110.552 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -129.87 156.61 44.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -50.11 122.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 122.664 0.386 . . . . 0.0 110.933 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.27 60.47 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.698 1.142 . . . . 0.0 114.437 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -93.28 167.66 11.6 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.866 1.333 . . . . 0.0 112.107 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -140.37 158.88 43.34 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -124.33 156.37 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 126.66 1.984 . . . . 0.0 108.136 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -125.19 134.01 52.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.797 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -124.02 132.12 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.37 1.068 . . . . 0.0 109.111 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.29 -128.92 33.97 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -125.08 -2.92 7.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.921 0.888 . . . . 0.0 112.496 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.59 -19.77 1.84 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.1 142.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 118.547 0.612 . . . . 0.0 111.101 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -134.14 143.13 47.76 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.365 1.066 . . . . 0.0 109.826 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -125.71 141.74 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.026 1.33 . . . . 0.0 108.221 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -139.49 137.94 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.576 0.626 . . . . 0.0 110.505 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.65 99.69 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -27.07 60.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.804 -0.56 . . . . 0.0 110.58 -175.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.72 -170.5 42.35 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 118.001 0.364 . . . . 0.0 113.833 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.91 156.28 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.033 0.933 . . . . 0.0 111.478 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -140.94 68.57 1.34 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.704 1.201 . . . . 0.0 109.726 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.7 -117.08 5.62 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -83.83 -3.0 57.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.207 0.603 . . . . 0.0 111.985 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -99.72 160.85 13.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.849 0.833 . . . . 0.0 112.723 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -141.28 128.67 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 126.09 1.756 . . . . 0.0 108.403 -170.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -104.09 102.0 11.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.213 1.005 . . . . 0.0 110.111 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.76 131.7 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.0 109.406 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.96 140.2 15.05 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 123.975 0.798 . . . . 0.0 111.62 170.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -116.41 132.38 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.688 1.595 . . . . 0.0 107.9 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -125.31 74.93 1.42 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.169 0.985 . . . . 0.0 109.404 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.31 154.13 39.17 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.925 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -71.93 154.64 58.16 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.486 2.124 . . . . 0.0 110.251 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -69.48 -2.48 11.34 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.65 -25.39 64.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 111.757 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -116.33 143.97 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.869 0.842 . . . . 0.0 111.778 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 142.98 32.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.056 0.942 . . . . 0.0 110.799 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.34 128.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.539 0.336 . . . . 0.0 110.343 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -151.38 -176.0 5.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.523 1.129 . . . . 0.0 110.031 -169.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -130.18 167.15 18.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.18 -26.89 68.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.64 -27.33 67.71 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 112.627 171.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -113.78 -23.66 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.379 1.472 . . . . 0.0 110.829 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 121.519 -0.738 . . . . 0.0 110.497 -174.267 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.638 -0.22 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.2 122.56 44.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.505 1.522 . . . . 0.0 107.661 168.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -120.09 138.82 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 122.887 0.475 . . . . 0.0 111.504 -166.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -133.5 143.37 48.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.576 1.151 . . . . 0.0 110.191 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.7 m -119.74 104.97 10.7 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -130.12 162.49 28.71 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.435 1.094 . . . . 0.0 110.654 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -94.45 167.26 11.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.09 137.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.19 -1.75 82.93 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.073 -0.848 . . . . 0.0 114.283 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.84 158.5 22.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.034 1.417 . . . . 0.0 112.188 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -125.28 142.64 51.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.412 1.085 . . . . 0.0 111.338 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.0 mt -135.63 153.79 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.321 1.448 . . . . 0.0 109.406 -169.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -138.57 144.56 39.89 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.469 -0.769 . . . . 0.0 112.901 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -135.42 128.35 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 124.345 1.058 . . . . 0.0 109.633 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 -139.32 48.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -121.69 4.97 10.04 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.914 0.886 . . . . 0.0 112.647 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -113.74 -22.77 10.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.49 137.04 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 118.97 0.805 . . . . 0.0 111.351 -169.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -132.47 150.54 52.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.882 1.273 . . . . 0.0 109.795 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -130.01 146.42 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 126.141 1.776 . . . . 0.0 107.978 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -140.17 129.09 23.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.055 -0.403 . . . . 0.0 109.956 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -81.61 104.84 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -30.12 59.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.943 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.76 -178.69 34.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 113.378 0.111 . . . . 0.0 113.378 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.85 150.94 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.184 0.594 . . . . 0.0 110.78 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.1 t -133.94 75.18 1.58 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.459 1.104 . . . . 0.0 108.589 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.31 -114.43 3.95 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.04 7.38 43.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.472 0.709 . . . . 0.0 110.946 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -99.03 156.02 17.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.171 0.988 . . . . 0.0 110.258 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.82 114.49 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.556 1.143 . . . . 0.0 108.977 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.42 122.04 31.47 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.41 1.084 . . . . 0.0 109.641 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.98 130.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.184 0.994 . . . . 0.0 109.945 -169.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 138.87 14.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 169.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -123.26 131.09 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.773 0.797 . . . . 0.0 109.058 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -132.23 79.23 1.85 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.765 -167.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.27 156.92 71.7 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 114.097 -1.411 . . . . 0.0 109.762 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.98 154.25 52.1 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.75 1.633 . . . . 0.0 109.766 168.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.21 -0.88 8.71 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.909 0.884 . . . . 0.0 111.562 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.75 -25.71 67.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.101 1.76 . . . . 0.0 111.102 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 m -108.46 144.16 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.371 1.068 . . . . 0.0 109.937 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.5 141.73 29.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.292 0.568 . . . . 0.0 111.183 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.82 94.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.094 -166.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.42 44.2 Favored 'General case' 0 CA--C 1.523 -0.071 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -65.21 158.31 26.49 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.028 0.531 . . . . 0.0 111.636 169.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -49.49 -45.22 46.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.8 0.84 . . . . 0.0 112.453 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.08 -47.92 53.4 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.011 0.524 . . . . 0.0 110.688 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -73.58 -49.3 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 125.031 1.332 . . . . 0.0 110.245 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -51.26 -37.41 47.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.534 1.134 . . . . 0.0 111.676 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -68.92 -26.18 64.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.58 0.752 . . . . 0.0 112.877 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -76.2 -44.09 39.39 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.041 0.837 . . . . 0.0 109.742 171.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.2 -38.32 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.235 0.614 . . . . 0.0 109.478 -173.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.48 0.34 38.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -76.88 -18.71 58.16 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.23 0.612 . . . . 0.0 111.651 169.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.9 50.61 0.1 Allowed Glycine 0 C--N 1.337 0.635 0 C-N-CA 123.597 0.618 . . . . 0.0 113.547 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.52 -176.78 2.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.515 0.657 . . . . 0.0 112.307 -168.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 52.7 p -130.95 -173.55 3.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.951 1.3 . . . . 0.0 109.518 168.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.55 122.95 3.62 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.799 0.84 . . . . 0.0 111.217 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -52.88 -41.5 70.23 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.994 3.129 . . . . 0.0 113.861 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 123.239 0.616 . . . . 0.0 110.677 -169.633 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpp . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 110.94 21.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.02 135.18 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.744 0.818 . . . . 0.0 109.846 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.46 134.97 50.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.969 0.908 . . . . 0.0 108.939 168.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -90.37 145.96 24.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.06 123.83 11.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.943 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.8 tptm -75.18 151.55 38.49 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m -58.24 137.91 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.439 -0.788 . . . . 0.0 112.057 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -5.1 84.88 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.932 1.253 . . . . 0.0 114.315 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -88.4 176.51 7.16 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.465 1.633 . . . . 0.0 112.075 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -133.24 160.59 36.84 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -141.28 156.47 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.193 2.197 . . . . 0.0 108.62 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -128.53 148.79 50.78 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.752 1.221 . . . . 0.0 111.929 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.22 138.22 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.897 1.279 . . . . 0.0 109.318 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.7 -136.2 50.05 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.21 10.04 8.04 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.257 1.023 . . . . 0.0 111.454 168.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.55 -16.72 6.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.729 1.211 . . . . 0.0 113.128 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.49 138.1 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.949 0.795 . . . . 0.0 111.411 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 18.5 m -126.09 144.24 50.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.827 1.251 . . . . 0.0 109.513 173.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -124.53 140.55 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.012 1.325 . . . . 0.0 108.471 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -135.06 128.61 32.6 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.685 0.394 . . . . 0.0 110.565 -176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.73 114.81 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.6 mt -88.57 -38.79 14.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.943 -0.473 . . . . 0.0 109.853 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.0 -174.84 43.54 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.335 -0.459 . . . . 0.0 114.215 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.4 151.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.445 0.698 . . . . 0.0 111.68 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -144.63 107.97 4.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 109.082 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -96.5 -7.1 35.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.416 ' HG3' ' HE2' ' D' ' 7' ' ' LYS . 19.9 mt-30 -79.98 155.01 27.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.966 0.889 . . . . 0.0 111.678 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -139.93 115.62 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -79.7 112.26 16.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 mt -117.66 128.03 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.964 1.306 . . . . 0.0 109.893 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.55 143.58 16.8 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.292 0.948 . . . . 0.0 112.403 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -129.98 122.24 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 125.109 1.363 . . . . 0.0 108.521 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -121.55 98.1 5.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.232 0.613 . . . . 0.0 109.981 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.77 157.05 79.25 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.431 1.092 . . . . 0.0 109.821 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -62.82 151.8 82.16 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.377 2.051 . . . . 0.0 110.827 170.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.6 -1.05 4.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 172.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.94 -19.96 66.04 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.804 1.241 . . . . 0.0 111.443 168.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.82 148.78 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.118 0.967 . . . . 0.0 110.74 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.51 156.94 19.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.768 0.427 . . . . 0.0 111.415 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.56 134.96 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.366 0.666 . . . . 0.0 109.324 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -154.64 162.98 40.89 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 123.326 0.65 . . . . 0.0 111.458 -174.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -72.9 154.52 40.54 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 165.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.86 -30.05 71.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.101 0.864 . . . . 0.0 111.669 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.93 -24.82 63.42 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.2 -36.4 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.628 0.771 . . . . 0.0 110.369 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -54.31 -37.82 65.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.414 1.086 . . . . 0.0 112.068 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.62 -22.34 66.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.299 0.64 . . . . 0.0 112.607 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -72.6 -40.76 66.28 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.756 171.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.013 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.468 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.8 ttp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.803 -0.073 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.01 116.36 31.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.585 1.554 . . . . 0.0 108.746 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -103.14 131.08 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.965 1.306 . . . . 0.0 108.845 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 41.2 mt -115.92 172.89 6.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.905 1.282 . . . . 0.0 110.01 172.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -132.23 109.82 10.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.683 169.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -121.81 137.94 54.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.835 1.654 . . . . 0.0 109.167 -169.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' HG3' ' C' ' 29' ' ' GLN . 18.7 ptpt -101.11 163.67 12.17 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 120.454 1.479 . . . . 0.0 113.717 172.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.41 137.28 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.613 -169.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.54 86.94 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.525 1.059 . . . . 0.0 114.121 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -87.99 175.97 7.53 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.87 1.335 . . . . 0.0 111.864 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -136.34 163.27 30.82 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -150.96 159.42 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 127.99 2.516 . . . . 0.0 108.398 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -138.62 153.0 48.6 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.035 0.934 . . . . 0.0 112.635 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -133.66 139.14 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.889 1.275 . . . . 0.0 108.988 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.32 -134.54 52.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.53 9.97 5.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.348 1.059 . . . . 0.0 112.451 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.03 -13.16 5.17 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.21 137.44 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.019 0.827 . . . . 0.0 110.965 -169.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -121.7 145.49 47.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.645 1.178 . . . . 0.0 109.755 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -129.12 139.68 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 108.203 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -137.34 130.75 31.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.755 0.422 . . . . 0.0 110.003 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.97 87.62 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.0 -29.25 69.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.801 -0.562 . . . . 0.0 112.02 -168.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.5 40.04 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 118.168 0.44 . . . . 0.0 113.764 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.18 159.14 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.332 0.653 . . . . 0.0 110.902 169.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -144.83 76.04 1.48 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.874 0.87 . . . . 0.0 109.035 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.33 -116.78 4.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.4 mp0 -91.93 -9.3 43.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.505 172.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.58 157.4 35.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 121.584 0.706 . . . . 0.0 111.706 169.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -134.81 125.08 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 114.196 -1.365 . . . . 0.0 108.462 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -81.47 114.65 20.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 168.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -116.17 122.45 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 123.655 0.782 . . . . 0.0 108.938 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.1 131.15 10.5 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.68 139.99 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.999 0.92 . . . . 0.0 108.812 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.11 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.657 0.783 . . . . 0.0 109.154 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.46 157.81 55.34 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 124.823 1.249 . . . . 0.0 109.64 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.31 151.06 84.68 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.013 1.808 . . . . 0.0 110.513 169.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.39 -1.0 7.23 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.09 -23.17 66.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.744 1.218 . . . . 0.0 111.534 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.12 159.67 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.167 0.987 . . . . 0.0 110.902 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.11 157.08 16.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.485 0.714 . . . . 0.0 112.251 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.84 125.28 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 168.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -148.58 165.37 31.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.332 0.653 . . . . 0.0 111.616 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -65.58 157.93 28.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.107 0.563 . . . . 0.0 110.566 169.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.41 -40.49 96.68 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.37 -0.831 . . . . 0.0 111.7 -176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -70.4 -9.07 55.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.02 -44.76 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.588 1.155 . . . . 0.0 110.799 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -45.36 -37.72 5.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.446 1.898 . . . . 0.0 112.658 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -57.89 -21.03 41.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.857 1.263 . . . . 0.0 113.68 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -50.58 10.74 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 119.053 0.842 . . . . 0.0 110.544 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.508 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 125.232 1.413 . . . . 0.0 111.852 -175.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.84 142.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.323 1.049 . . . . 0.0 110.385 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -139.64 159.8 41.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.373 1.469 . . . . 0.0 110.871 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -127.48 106.2 9.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 165.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.431 ' HD3' HG13 ' E' ' 12' ' ' ILE . 2.8 mtp180 -104.94 162.24 13.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.233 1.813 . . . . 0.0 110.241 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -111.68 171.68 7.35 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 168.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.22 140.27 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.035 0.445 . . . . 0.0 112.136 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.94 -5.89 84.15 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.157 0.884 . . . . 0.0 114.793 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 10' ' ' GLU . . . . . 0.403 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.0 mm-40 -90.51 170.42 10.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.083 1.442 . . . . 0.0 112.799 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 67.1 m -131.53 151.67 51.38 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.795 0.838 . . . . 0.0 112.366 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.431 HG13 ' HD3' ' E' ' 6' ' ' ARG . 37.8 mt -131.32 151.74 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.876 2.07 . . . . 0.0 107.999 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.44 146.03 47.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.257 0.623 . . . . 0.0 111.152 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -133.18 133.38 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.587 1.155 . . . . 0.0 108.942 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -132.78 52.73 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.96 10.03 5.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.723 0.809 . . . . 0.0 112.65 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -125.11 -13.54 6.76 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.59 133.98 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.107 0.867 . . . . 0.0 110.873 -171.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -124.07 142.34 51.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.379 1.072 . . . . 0.0 109.97 173.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mm -121.88 134.83 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.695 1.198 . . . . 0.0 108.388 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 17.4 m -133.69 130.98 38.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.274 0.63 . . . . 0.0 110.245 -171.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -89.23 114.45 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 O-C-N 121.891 -0.506 . . . . 0.0 109.676 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.66 -32.36 31.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.559 0.344 . . . . 0.0 110.298 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.55 178.9 28.53 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.073 0.368 . . . . 0.0 113.696 168.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.91 153.81 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.57 0.748 . . . . 0.0 112.171 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -143.42 89.9 2.12 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.023 1.329 . . . . 0.0 108.581 169.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.49 -113.65 6.07 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.843 -0.536 . . . . 0.0 111.765 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.02 -21.42 21.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 117.576 0.688 . . . . 0.0 111.828 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -74.52 143.92 44.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 109.821 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.46 116.52 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -89.06 119.22 29.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.27 134.08 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.277 1.031 . . . . 0.0 110.177 -168.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.3 144.77 17.44 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.408 1.004 . . . . 0.0 111.883 171.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.97 123.81 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.009 1.324 . . . . 0.0 108.91 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -123.7 99.1 6.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.022 0.529 . . . . 0.0 109.613 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.0 76.55 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.331 1.052 . . . . 0.0 110.435 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.97 158.67 32.85 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.67 2.247 . . . . 0.0 111.904 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -68.5 -0.88 5.54 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.498 0.719 . . . . 0.0 112.471 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.98 -25.31 67.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.176 1.39 . . . . 0.0 111.761 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.42 156.1 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.117 0.967 . . . . 0.0 110.879 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.73 156.36 19.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.53 171.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.51 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.868 0.467 . . . . 0.0 110.561 169.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -154.52 168.64 26.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.168 0.987 . . . . 0.0 110.876 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -67.51 161.76 24.79 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.951 -0.468 . . . . 0.0 109.753 167.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.0 -40.92 77.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.348 1.059 . . . . 0.0 111.505 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -91.1 -35.99 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.992 0.917 . . . . 0.0 110.181 -173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 125.009 1.323 . . . . 0.0 112.821 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.836 -0.061 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.33 149.82 21.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.713 0.405 . . . . 0.0 111.385 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.47 134.84 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.848 0.859 . . . . 0.0 108.691 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.09 164.98 23.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.366 1.467 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.39 101.08 6.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -106.16 133.72 50.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.13 1.372 . . . . 0.0 111.14 -176.174 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -94.89 164.69 12.81 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.319 0.963 . . . . 0.0 113.311 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.36 135.04 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.285 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.96 -6.4 69.42 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.438 1.018 . . . . 0.0 114.113 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -99.94 162.79 12.77 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.953 1.377 . . . . 0.0 111.792 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 44.9 m -128.85 156.21 44.0 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -136.69 159.18 37.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 127.056 2.143 . . . . 0.0 108.131 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.43 148.03 51.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.869 0.868 . . . . 0.0 111.884 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -136.5 139.02 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.452 1.101 . . . . 0.0 109.279 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.35 -138.25 48.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -120.56 10.04 11.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.858 0.863 . . . . 0.0 111.849 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.66 -17.95 1.45 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.53 137.7 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.063 0.847 . . . . 0.0 110.645 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -128.47 141.6 51.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.251 1.021 . . . . 0.0 109.994 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.03 141.76 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.599 1.56 . . . . 0.0 108.156 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 60.3 m -137.51 130.41 30.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.943 0.497 . . . . 0.0 110.31 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.07 109.9 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 23' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' F' ' 31' ' ' ARG . 27.4 mt -82.41 -27.94 31.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.535 0.734 . . . . 0.0 111.175 -172.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.93 -173.14 35.19 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.07 0.367 . . . . 0.0 113.468 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.99 157.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.457 0.703 . . . . 0.0 112.394 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -150.04 90.08 1.65 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.15 1.38 . . . . 0.0 109.404 168.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.28 -103.33 1.69 Allowed Glycine 0 CA--C 1.525 0.659 0 O-C-N 121.841 -0.537 . . . . 0.0 111.767 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.03 -16.32 18.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 117.903 0.851 . . . . 0.0 110.936 168.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -70.57 143.74 51.47 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.529 0.681 . . . . 0.0 109.499 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 63.1 t -141.1 105.94 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 31' ' ' ARG . . . . . 0.432 ' HG2' HD12 ' F' ' 23' ' ' LEU . 30.2 ttm180 -84.95 127.11 34.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -133.24 138.45 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.758 0.823 . . . . 0.0 110.117 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.89 138.28 14.77 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.34 144.93 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.255 1.022 . . . . 0.0 109.297 172.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -133.75 108.77 8.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.044 0.938 . . . . 0.0 108.945 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.38 158.46 74.47 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.017 0.927 . . . . 0.0 111.182 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.87 159.67 40.86 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.718 2.279 . . . . 0.0 111.977 172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.08 -17.13 23.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.359 1.063 . . . . 0.0 113.305 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -10.49 59.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.178 1.391 . . . . 0.0 112.271 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -128.74 163.15 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.039 0.935 . . . . 0.0 110.795 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.552 0.741 . . . . 0.0 111.32 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.89 122.32 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.14 0.576 . . . . 0.0 110.722 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -151.29 172.5 15.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.079 0.952 . . . . 0.0 110.651 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.56 154.19 42.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.55 -25.36 67.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.082 0.553 . . . . 0.0 111.899 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -56.56 -46.86 80.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.476 1.11 . . . . 0.0 111.485 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.83 -33.02 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.014 0.925 . . . . 0.0 110.282 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 124.374 1.069 . . . . 0.0 112.333 176.335 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 110.73 23.02 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.685 0.794 . . . . 0.0 109.454 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.68 135.66 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.575 0.75 . . . . 0.0 109.246 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.83 152.03 51.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.503 1.121 . . . . 0.0 109.635 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -113.48 100.94 8.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 135.14 54.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.561 0.744 . . . . 0.0 110.451 -168.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.58 154.08 18.86 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 24' ' ' GLY . 40.3 t -48.4 125.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.148 0.579 . . . . 0.0 111.005 -177.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.98 -2.87 61.96 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 114.36 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -100.44 170.2 8.57 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.825 1.312 . . . . 0.0 111.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -136.21 150.4 48.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.4 mm -109.06 154.11 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 125.571 1.548 . . . . 0.0 109.53 169.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -126.18 137.2 53.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.641 1.176 . . . . 0.0 109.967 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mt -131.64 131.26 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.861 0.864 . . . . 0.0 109.648 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.35 -126.42 28.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -129.99 -0.82 4.7 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.128 0.971 . . . . 0.0 111.922 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -137.98 -9.16 1.57 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -168.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -113.9 142.27 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.831 0.852 . . . . 0.0 110.443 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m -140.84 150.42 43.26 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.967 0.907 . . . . 0.0 109.168 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -132.48 143.21 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.733 1.213 . . . . 0.0 108.371 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 m -137.97 132.85 32.93 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.636 0.653 . . . . 0.0 110.823 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.4 tp -84.2 96.62 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 169.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.85 -28.9 66.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 122.016 -0.428 . . . . 0.0 110.404 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.08 -167.97 41.0 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.309 0.481 . . . . 0.0 113.382 170.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.64 148.42 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.628 0.771 . . . . 0.0 111.133 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -140.72 61.08 1.51 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.819 1.247 . . . . 0.0 110.216 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.43 -122.05 6.3 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -76.27 -10.52 59.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.224 0.609 . . . . 0.0 111.441 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -98.96 158.1 15.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.52 0.676 . . . . 0.0 111.771 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -139.81 135.99 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.536 1.534 . . . . 0.0 109.188 -169.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.1 101.91 10.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.987 0.915 . . . . 0.0 109.558 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -121.02 136.3 58.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.087 0 C-N-CA 123.729 0.812 . . . . 0.0 111.116 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.39 146.4 18.17 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.584 1.088 . . . . 0.0 112.206 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -112.93 137.98 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.801 1.64 . . . . 0.0 108.427 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -124.04 74.99 1.33 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.721 1.208 . . . . 0.0 109.416 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.51 154.18 45.59 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.69 174.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.67 157.9 43.82 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.64 2.227 . . . . 0.0 110.741 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -68.67 -1.59 7.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.99 -30.95 71.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.792 0.837 . . . . 0.0 111.495 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.98 143.87 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.845 0.831 . . . . 0.0 111.513 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 141.98 28.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.926 0.89 . . . . 0.0 110.563 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 m -133.61 123.83 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.73 0.412 . . . . 0.0 109.982 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -152.21 159.34 43.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.791 0.436 . . . . 0.0 111.429 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' B' ' 12' ' ' ILE . 3.3 ptm85 -79.64 152.65 29.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.525 0.73 . . . . 0.0 112.295 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.23 -39.18 91.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.36 0.93 15.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.03 -26.03 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 125.12 1.368 . . . . 0.0 111.175 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.453 -0.282 0 O-C-N 121.501 -0.75 . . . . 0.0 110.43 178.21 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 tpp . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.97 119.86 39.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 168.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.0 mt -119.19 142.72 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.78 0.432 . . . . 0.0 111.994 -166.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.47 149.51 52.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.598 1.159 . . . . 0.0 110.468 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.1 m -112.09 103.72 11.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 169.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -110.26 173.0 6.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.741 0.817 . . . . 0.0 109.933 -171.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -118.76 163.32 17.04 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.598 0.359 . . . . 0.0 111.754 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.21 125.13 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.567 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.29 -6.25 55.85 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.84 -0.978 . . . . 0.0 115.211 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.27 155.48 36.65 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 119.548 1.674 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -131.25 146.58 52.37 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.309 1.044 . . . . 0.0 111.324 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.4 mm -135.27 154.26 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 126.563 1.945 . . . . 0.0 109.137 -173.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -127.87 144.85 51.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.446 1.099 . . . . 0.0 110.997 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.37 129.35 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.501 1.121 . . . . 0.0 109.357 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -134.34 52.46 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.01 5.07 6.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.772 0.829 . . . . 0.0 112.835 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -115.23 -20.09 10.52 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.25 137.25 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 119.024 0.829 . . . . 0.0 111.286 -169.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -133.33 149.45 51.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.864 1.265 . . . . 0.0 109.932 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.16 144.49 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.273 1.829 . . . . 0.0 108.001 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -141.04 134.06 29.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.906 0.482 . . . . 0.0 110.516 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.75 116.76 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 169.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -84.29 -32.96 24.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.081 -0.387 . . . . 0.0 111.037 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.3 35.79 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 122.58 0.134 . . . . 0.0 112.91 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -109.97 148.81 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.195 0.521 . . . . 0.0 110.74 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -130.29 73.28 1.52 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.936 1.294 . . . . 0.0 108.582 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.67 -113.15 3.67 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.44 13.73 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.249 0.547 . . . . 0.0 111.678 170.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -99.0 156.09 17.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.308 1.043 . . . . 0.0 109.199 168.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -137.79 118.95 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.08 118.32 27.57 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.487 1.115 . . . . 0.0 109.712 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.09 136.45 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.559 1.143 . . . . 0.0 109.877 -169.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.28 141.22 15.18 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 123.758 0.694 . . . . 0.0 111.859 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -124.17 132.98 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 109.447 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 75.92 1.65 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.807 -168.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.01 158.14 53.29 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.525 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.79 155.67 47.66 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.761 1.641 . . . . 0.0 109.877 168.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -0.83 8.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 122.043 0.925 . . . . 0.0 112.094 173.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.83 -22.99 66.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.991 1.716 . . . . 0.0 110.897 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.32 144.09 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.64 1.176 . . . . 0.0 109.753 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.01 140.96 29.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.342 0.592 . . . . 0.0 111.253 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 t -142.51 98.36 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.254 -166.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 158.63 44.29 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.793 0.437 . . . . 0.0 111.978 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 33.0 ptt-85 -64.66 157.57 26.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.23 0.612 . . . . 0.0 111.434 169.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -55.67 -40.92 72.93 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.224 0.61 . . . . 0.0 112.633 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.77 -19.57 65.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -89.96 -49.44 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.325 0.65 . . . . 0.0 110.51 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.51 -42.01 22.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.618 0.767 . . . . 0.0 111.024 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.33 -10.18 56.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -91.97 -28.81 16.99 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 119.309 0.958 . . . . 0.0 112.49 169.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.81 -62.05 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.696 0.798 . . . . 0.0 112.698 -166.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.59 1.57 1.2 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.09 -19.17 60.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.325 170.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.0 29.07 0.05 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.054 -0.859 . . . . 0.0 115.101 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -168.97 -172.95 1.68 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.524 1.162 . . . . 0.0 112.847 -167.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 22.1 p -130.45 -171.74 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.86 1.264 . . . . 0.0 108.902 167.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.07 125.61 2.06 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 112.042 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.36 -175.31 0.52 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.072 2.514 . . . . 0.0 113.099 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.097 0.959 . . . . 0.0 112.466 171.409 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 107.26 14.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 134.88 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.724 0.81 . . . . 0.0 109.521 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.55 134.97 48.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.022 0.929 . . . . 0.0 109.316 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.5 p -92.47 141.13 28.85 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.202 169.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -136.72 144.24 43.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.998 0.519 . . . . 0.0 110.209 171.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.4 tptm -82.28 156.88 24.08 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 167.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.01 134.12 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 O-C-N 121.582 -0.699 . . . . 0.0 111.527 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.78 81.0 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.543 1.068 . . . . 0.0 114.441 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -89.1 175.3 7.44 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.235 1.517 . . . . 0.0 112.495 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -135.06 157.79 46.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mt -139.75 159.24 27.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 127.814 2.446 . . . . 0.0 107.94 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.83 149.36 52.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.235 1.014 . . . . 0.0 112.298 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.82 141.99 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.639 1.176 . . . . 0.0 109.044 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.24 -136.72 50.72 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.808 0.718 . . . . 0.0 111.739 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -122.83 9.98 9.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.257 1.023 . . . . 0.0 111.274 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -132.25 -10.72 3.29 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.39 136.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 118.698 0.681 . . . . 0.0 110.921 -170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -124.57 138.52 54.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.577 1.151 . . . . 0.0 109.282 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.04 137.96 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.539 1.136 . . . . 0.0 108.384 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -132.23 130.94 41.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.671 0.389 . . . . 0.0 110.505 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -84.38 114.61 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 168.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.539 HD12 ' HG2' ' C' ' 31' ' ' ARG . 6.1 mt -89.02 -34.32 16.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -174.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.64 -179.47 39.95 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 113.668 0.227 . . . . 0.0 113.668 168.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.02 154.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.67 0.788 . . . . 0.0 110.259 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -149.0 104.63 3.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -127.51 26.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.05 -0.38 55.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.995 0.918 . . . . 0.0 112.352 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.04 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.61 0.764 . . . . 0.0 110.664 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -135.15 122.28 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.2 1.0 . . . . 0.0 108.653 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.539 ' HG2' HD12 ' C' ' 23' ' ' LEU . 18.8 ttm180 -81.44 114.47 20.2 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.84 131.78 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.63 1.172 . . . . 0.0 109.612 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.0 137.99 14.23 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.17 0.89 . . . . 0.0 112.41 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.18 113.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.676 1.19 . . . . 0.0 108.766 176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -102.89 93.47 5.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.308 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.87 71.09 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.797 0.839 . . . . 0.0 110.52 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -61.89 153.77 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.926 2.417 . . . . 0.0 111.439 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.07 -0.74 2.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.93 -28.45 68.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.849 0.86 . . . . 0.0 110.92 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -105.62 140.02 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.604 0.762 . . . . 0.0 110.286 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 154.98 21.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -139.7 123.57 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.56 169.46 21.47 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.406 HH11 HD22 ' D' ' 4' ' ' LEU . 79.1 mtm-85 -72.29 156.09 39.48 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.52 -35.78 74.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.696 0.68 . . . . 0.0 111.44 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.41 -23.82 62.82 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -92.1 -36.12 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.629 0.771 . . . . 0.0 110.393 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.16 -35.81 60.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.991 1.316 . . . . 0.0 112.372 -176.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -58.62 -30.02 66.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.883 0.873 . . . . 0.0 112.243 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.27 -37.44 80.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.621 0.769 . . . . 0.0 111.856 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.41 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.254 0 O-C-N 121.941 -0.474 . . . . 0.0 109.827 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -106.29 112.24 25.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.48 1.112 . . . . 0.0 108.741 168.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.466 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -99.97 131.36 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.331 1.052 . . . . 0.0 109.128 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 4' ' ' LEU . . . . . 0.406 HD22 HH11 ' C' ' 44' ' ' ARG . 29.4 mt -117.99 171.76 7.86 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.564 1.145 . . . . 0.0 110.25 172.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 109.77 10.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.234 169.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -117.4 132.11 56.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.667 1.187 . . . . 0.0 109.362 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -75.77 155.48 35.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.012 0.824 . . . . 0.0 110.819 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.803 HG11 HG12 ' D' ' 25' ' ' VAL . 11.9 m -54.37 137.96 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.507 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.78 86.72 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.535 1.064 . . . . 0.0 114.072 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -94.3 178.98 5.45 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.982 1.391 . . . . 0.0 112.241 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 65.2 m -135.04 158.97 42.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 50.9 mt -143.36 161.5 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.998 2.519 . . . . 0.0 108.368 -173.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -140.31 152.56 45.95 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.865 0.866 . . . . 0.0 112.522 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -135.93 142.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.74 1.216 . . . . 0.0 109.295 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.29 -138.27 49.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -123.39 9.91 9.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.274 1.029 . . . . 0.0 111.286 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.65 -11.29 3.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.927 0.891 . . . . 0.0 113.37 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.66 137.5 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.758 0.708 . . . . 0.0 110.591 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -122.57 149.2 44.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.471 1.108 . . . . 0.0 109.859 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -132.53 140.3 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.463 1.505 . . . . 0.0 107.871 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.56 129.19 26.3 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.54 87.63 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.73 -32.23 73.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.737 -0.602 . . . . 0.0 111.43 -169.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.65 -167.99 40.34 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 120.674 -0.774 . . . . 0.0 114.19 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.803 HG12 HG11 ' D' ' 8' ' ' VAL . 10.2 p -139.57 134.36 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.963 1.305 . . . . 0.0 110.138 -170.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -144.26 100.56 3.56 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.976 0.91 . . . . 0.0 109.448 -171.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.2 -119.35 15.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -100.49 -3.36 30.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.594 0.757 . . . . 0.0 111.286 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -77.35 156.67 31.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.656 0.741 . . . . 0.0 112.026 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -136.19 125.06 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 114.381 -1.281 . . . . 0.0 108.376 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -83.14 114.26 21.2 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.114 0.566 . . . . 0.0 109.586 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -118.1 116.63 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.731 0.812 . . . . 0.0 109.389 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.79 135.47 12.87 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.089 0.852 . . . . 0.0 111.048 174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.87 138.82 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.015 0.926 . . . . 0.0 108.733 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.03 90.03 2.45 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.779 -0.576 . . . . 0.0 109.84 -173.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.79 157.92 55.9 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.413 1.085 . . . . 0.0 109.944 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 154.01 72.09 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.41 2.073 . . . . 0.0 110.905 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.53 -0.93 9.47 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.0 -20.91 66.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.337 1.055 . . . . 0.0 111.047 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -128.03 159.93 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.356 1.062 . . . . 0.0 110.862 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.49 157.1 16.67 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.448 0.699 . . . . 0.0 112.084 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.68 126.15 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 O-C-N 122.043 -0.411 . . . . 0.0 110.085 168.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -149.81 165.13 33.41 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.444 0.698 . . . . 0.0 111.824 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -62.51 157.81 19.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.898 0.479 . . . . 0.0 109.987 168.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -58.11 -38.01 75.67 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.748 0.419 . . . . 0.0 111.421 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.84 -19.8 64.27 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.869 0.868 . . . . 0.0 113.275 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mm -98.64 -41.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.424 1.09 . . . . 0.0 111.061 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -47.08 -39.51 13.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.6 1.56 . . . . 0.0 112.392 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -57.87 -21.0 40.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.706 1.202 . . . . 0.0 113.631 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -87.0 -44.35 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.904 0.881 . . . . 0.0 110.564 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.623 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 124.228 1.011 . . . . 0.0 111.242 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.77 138.1 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.142 0.977 . . . . 0.0 109.742 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -132.39 164.32 26.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.613 1.565 . . . . 0.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -137.54 99.17 3.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 168.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -114.6 143.38 45.1 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.584 1.154 . . . . 0.0 112.616 -168.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -83.2 159.51 21.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.231 0.613 . . . . 0.0 111.48 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -59.95 136.31 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.365 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.35 85.14 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.289 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.31 165.36 14.45 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 119.034 1.417 . . . . 0.0 111.786 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -131.94 157.4 44.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.547 0.689 . . . . 0.0 112.352 -169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 35.2 mt -141.88 157.61 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 126.062 1.745 . . . . 0.0 108.113 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.88 148.76 44.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -137.51 139.31 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.915 1.286 . . . . 0.0 109.186 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.26 -134.79 48.37 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.33 9.95 6.73 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.032 0.933 . . . . 0.0 111.727 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.66 -5.59 1.97 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -170.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.84 135.76 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 118.908 0.776 . . . . 0.0 110.778 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -129.08 143.22 50.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.146 . . . . 0.0 109.971 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -123.02 142.15 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.53 1.532 . . . . 0.0 107.991 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -138.96 128.58 24.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.782 0.433 . . . . 0.0 110.216 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -76.74 112.5 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.3 -34.54 48.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.545 0.338 . . . . 0.0 110.357 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.55 -177.5 35.16 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.257 0.456 . . . . 0.0 113.199 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.55 157.83 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.372 0.669 . . . . 0.0 112.256 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.02 95.46 2.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.602 1.161 . . . . 0.0 109.078 169.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.75 -117.8 8.46 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.43 -21.05 22.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.35 0.575 . . . . 0.0 111.558 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.63 142.29 42.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.673 0.749 . . . . 0.0 110.75 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.84 115.25 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -172.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -87.98 122.25 31.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -129.45 130.69 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.871 0.869 . . . . 0.0 110.448 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 143.34 16.63 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.354 0.978 . . . . 0.0 111.83 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.6 mt -134.03 128.32 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.192 1.397 . . . . 0.0 108.834 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.9 100.8 5.81 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 155.3 74.7 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.493 1.117 . . . . 0.0 110.548 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.99 157.12 45.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.838 2.358 . . . . 0.0 112.031 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.98 -0.9 10.35 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.03 -23.46 66.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.53 1.132 . . . . 0.0 111.848 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -120.78 158.32 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.069 0.948 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 158.05 15.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.072 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.0 125.9 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.928 0.491 . . . . 0.0 110.201 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -150.45 168.55 23.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.379 1.072 . . . . 0.0 110.125 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -75.78 161.81 28.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.498 0.59 . . . . 0.0 109.581 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -61.59 -21.66 64.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.051 0.54 . . . . 0.0 112.195 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.53 -45.87 74.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.233 1.013 . . . . 0.0 111.455 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -29.67 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.636 0.775 . . . . 0.0 110.014 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 O-C-N 121.926 -0.484 . . . . 0.0 111.983 176.094 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.942 -0.075 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.57 150.02 20.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.093 -0.38 . . . . 0.0 111.511 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.84 134.27 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -126.56 163.22 23.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.079 . . . . 0.0 109.72 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.61 97.6 5.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 109.701 169.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.89 132.39 51.19 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.612 1.565 . . . . 0.0 109.404 -171.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -97.15 165.39 12.08 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 119.677 1.126 . . . . 0.0 112.927 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -56.09 136.2 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.504 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.1 80.35 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.314 0.959 . . . . 0.0 114.165 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -94.0 167.65 11.46 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.613 1.207 . . . . 0.0 111.697 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -131.6 157.19 44.3 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -169.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 47.8 mt -139.13 156.53 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.323 1.849 . . . . 0.0 108.256 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -128.64 149.29 50.72 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.614 0.766 . . . . 0.0 112.261 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -135.44 144.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.781 1.233 . . . . 0.0 109.045 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.51 -132.1 51.49 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -129.13 9.95 5.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.431 0.692 . . . . 0.0 111.837 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -136.22 -10.66 1.96 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -170.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.66 137.66 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.609 0.64 . . . . 0.0 110.345 -174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -125.98 141.45 51.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 110.004 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.1 140.01 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.357 1.463 . . . . 0.0 108.405 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -133.75 129.42 36.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.402 0.681 . . . . 0.0 109.912 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.89 108.45 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.67 -28.45 36.78 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.134 0.573 . . . . 0.0 111.129 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -176.31 32.81 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 123.53 0.586 . . . . 0.0 112.92 169.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.37 154.04 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.162 0.585 . . . . 0.0 111.816 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -147.24 90.0 1.84 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.816 1.246 . . . . 0.0 108.707 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.03 -126.39 34.0 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -79.43 -16.72 55.67 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -84.05 141.92 30.81 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.583 0.706 . . . . 0.0 110.446 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.6 t -128.73 119.78 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -87.0 126.91 35.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.468 0.707 . . . . 0.0 109.303 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -134.58 142.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 124.037 0.935 . . . . 0.0 110.162 -168.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.08 138.53 13.59 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.101 0.858 . . . . 0.0 111.189 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.4 mt -126.4 137.47 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.212 1.005 . . . . 0.0 109.259 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -133.53 105.59 6.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.576 0.75 . . . . 0.0 109.674 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.4 158.85 74.12 Favored Pre-proline 0 N--CA 1.454 -0.225 0 C-N-CA 124.19 0.996 . . . . 0.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.28 162.21 31.08 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.928 2.419 . . . . 0.0 112.131 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.81 -13.11 29.42 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.126 0.97 . . . . 0.0 112.464 169.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.98 -19.55 66.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.497 1.519 . . . . 0.0 112.309 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -130.67 160.56 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.15 0.98 . . . . 0.0 110.929 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.44 162.89 13.47 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.127 0.571 . . . . 0.0 111.244 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.05 125.91 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.529 0.732 . . . . 0.0 110.26 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -153.65 177.08 11.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.211 1.004 . . . . 0.0 110.244 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -80.85 163.97 23.02 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.731 -0.605 . . . . 0.0 110.178 169.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.49 -29.01 68.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.089 0.556 . . . . 0.0 112.46 -169.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.32 -53.58 56.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.451 0.701 . . . . 0.0 110.966 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -78.29 -31.62 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.361 0.664 . . . . 0.0 109.986 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 . . . . . 0 N--CA 1.453 -0.293 0 C-N-CA 124.258 1.023 . . . . 0.0 112.772 176.481 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.56 109.43 21.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.172 0.589 . . . . 0.0 109.816 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 HG21 ' HD3' ' B' ' 31' ' ' ARG . 2.0 mp -91.0 140.58 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.251 0.621 . . . . 0.0 110.124 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -133.3 147.78 51.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.864 0.866 . . . . 0.0 108.732 167.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -120.18 100.81 7.41 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 6' ' ' ARG . 18.4 mmm180 -125.95 153.66 43.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.297 0.57 . . . . 0.0 110.611 -169.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -105.03 159.82 15.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.415 1.086 . . . . 0.0 110.512 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' HA2' ' A' ' 24' ' ' GLY . 62.1 t -46.2 120.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 110.637 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.39 -4.22 56.81 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.528 1.061 . . . . 0.0 114.582 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -94.4 162.96 13.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 119.035 1.417 . . . . 0.0 112.146 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -132.13 147.77 52.45 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -168.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.7 mm -111.39 157.55 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 125.784 1.634 . . . . 0.0 110.055 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -134.37 140.14 46.11 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.951 0.901 . . . . 0.0 111.108 174.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 mt -140.08 125.29 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.555 1.142 . . . . 0.0 110.749 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.3 -121.64 23.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.869 1.107 . . . . 0.0 115.869 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.03 -3.74 46.68 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -165.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 152.48 5.65 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 128.148 2.579 . . . . 0.0 112.129 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.97 126.42 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 120.889 -1.132 . . . . 0.0 109.01 -172.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -118.93 133.08 56.06 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -112.93 143.92 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -136.14 133.13 36.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.187 0.595 . . . . 0.0 110.003 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.2 100.04 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.418 -1.326 . . . . 0.0 107.418 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -30.74 61.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.81 -0.556 . . . . 0.0 111.293 -169.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.73 -170.38 43.48 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.992 0.36 . . . . 0.0 113.593 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.39 146.94 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.927 0.891 . . . . 0.0 111.051 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 m -141.72 60.94 1.47 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.636 1.174 . . . . 0.0 110.412 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.6 -126.21 7.78 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -76.97 -14.71 59.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.272 0.629 . . . . 0.0 111.672 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -99.76 151.7 20.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.4 t -133.07 139.18 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 127.977 2.511 . . . . 0.0 108.15 -169.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -111.57 103.13 11.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.974 0.91 . . . . 0.0 110.41 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.93 137.97 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.427 1.091 . . . . 0.0 110.396 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.24 142.97 16.07 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.436 1.017 . . . . 0.0 112.014 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.04 136.35 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.669 1.588 . . . . 0.0 108.418 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.9 75.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.357 1.063 . . . . 0.0 109.271 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.14 152.38 39.72 Favored Pre-proline 0 N--CA 1.452 -0.328 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.58 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.99 152.27 68.07 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.404 2.069 . . . . 0.0 110.131 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.5 -4.84 16.45 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.62 -25.63 65.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.96 0.904 . . . . 0.0 112.091 169.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.49 144.1 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.015 0.912 . . . . 0.0 112.076 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.85 143.08 36.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.77 1.228 . . . . 0.0 111.61 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.07 117.38 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 123.451 0.701 . . . . 0.0 109.517 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -150.31 158.49 44.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.7 ptm85 -80.87 152.85 27.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.782 0.833 . . . . 0.0 112.115 174.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.65 -33.34 75.4 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.493 0.717 . . . . 0.0 112.175 -174.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.35 -14.69 57.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.999 0.919 . . . . 0.0 112.977 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -22.75 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 125.222 1.409 . . . . 0.0 111.121 -173.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.452 -0.346 0 O-C-N 121.35 -0.844 . . . . 0.0 110.475 178.503 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.71 119.46 39.19 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.209 1.404 . . . . 0.0 107.449 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -116.51 138.55 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -166.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.12 135.89 47.89 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.632 1.173 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -106.26 110.25 22.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.417 ' HD2' HD11 ' B' ' 12' ' ' ILE . 16.6 mtm-85 -124.96 166.45 16.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.545 1.138 . . . . 0.0 110.691 -169.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -109.64 155.79 21.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.798 0.439 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.415 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.1 m -54.44 126.78 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.292 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.94 -13.45 45.38 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.03 -0.872 . . . . 0.0 115.145 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.88 154.35 38.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 119.395 1.597 . . . . 0.0 112.667 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -125.79 144.6 50.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.357 1.063 . . . . 0.0 111.499 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.417 HD11 ' HD2' ' B' ' 6' ' ' ARG . 46.5 mm -132.85 151.35 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 126.429 1.891 . . . . 0.0 108.86 -174.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -126.16 140.92 52.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.323 1.049 . . . . 0.0 110.663 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -131.71 132.32 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 123.982 0.913 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 -134.19 51.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -123.29 2.27 9.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.603 0.761 . . . . 0.0 112.064 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.75 -16.38 6.69 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.787 0.835 . . . . 0.0 113.202 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.35 136.24 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.74 0.7 . . . . 0.0 110.531 -172.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -130.54 149.34 52.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.481 1.112 . . . . 0.0 109.86 169.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -129.55 145.65 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.363 1.865 . . . . 0.0 107.81 -175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -140.58 130.12 24.08 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.765 0.426 . . . . 0.0 110.328 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.11 114.8 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 168.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.35 -30.14 21.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.042 -0.411 . . . . 0.0 111.133 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 157.2 175.96 28.72 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-O 120.861 0.145 . . . . 0.0 112.874 170.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.11 153.55 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.344 0.592 . . . . 0.0 111.057 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -137.24 74.06 1.47 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.938 1.295 . . . . 0.0 108.506 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 -117.37 4.47 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.89 16.41 24.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.347 0.594 . . . . 0.0 111.243 169.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -98.92 157.51 16.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.74 1.216 . . . . 0.0 109.345 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -142.44 114.79 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.794 0.437 . . . . 0.0 110.108 -169.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.4 ' HD3' HG21 ' A' ' 3' ' ' ILE . 35.9 ttm180 -84.52 124.7 31.68 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.327 0.512 . . . . 0.0 110.738 174.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.75 130.42 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.282 1.433 . . . . 0.0 109.161 -173.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.39 15.51 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 123.611 0.624 . . . . 0.0 111.608 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.06 132.64 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 124.001 0.92 . . . . 0.0 109.05 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -133.06 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.473 -1.239 . . . . 0.0 109.297 -168.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.46 157.64 53.35 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.564 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.14 157.35 35.17 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.915 1.743 . . . . 0.0 111.311 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -68.41 -0.68 5.2 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.018 0.927 . . . . 0.0 112.199 169.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.91 -25.78 67.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.223 1.409 . . . . 0.0 111.359 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.71 144.13 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.443 1.097 . . . . 0.0 110.263 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.82 141.8 28.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.665 0.745 . . . . 0.0 111.373 169.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -141.88 98.85 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.755 -166.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.92 157.21 43.9 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.075 0.465 . . . . 0.0 111.695 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 22.7 ptt-85 -65.54 157.79 28.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.107 0.563 . . . . 0.0 111.732 171.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -55.62 -41.54 73.64 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 123.207 0.603 . . . . 0.0 112.148 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.67 -3.91 10.51 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.27 -51.27 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.586 1.154 . . . . 0.0 109.846 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -50.6 -36.74 36.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.325 1.45 . . . . 0.0 112.314 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.93 -22.95 64.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -174.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.23 -40.39 27.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 118.737 0.699 . . . . 0.0 110.501 171.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.82 -39.61 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -80.28 4.94 16.08 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.85 -17.97 45.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.237 0.615 . . . . 0.0 112.093 169.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.14 48.48 0.09 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-O 119.599 -0.556 . . . . 0.0 114.123 169.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.63 -177.36 3.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.68 0.74 . . . . 0.0 112.699 -168.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.479 HG22 ' H ' ' B' ' 57' ' ' ALA . 7.2 m -124.76 174.93 7.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.321 1.448 . . . . 0.0 108.635 168.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.479 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.95 119.41 0.68 Allowed Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 125.227 1.411 . . . . 0.0 111.849 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.9 Cg_exo -67.17 178.88 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.53 2.153 . . . . 0.0 113.949 -169.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 112.73 176.535 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpp . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.86 107.51 15.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 167.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.93 135.61 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.888 0.875 . . . . 0.0 109.846 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -128.23 134.98 49.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.021 0.928 . . . . 0.0 109.231 168.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.1 p -95.3 124.82 39.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.27 0.628 . . . . 0.0 109.836 169.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 13.5 mmm180 -123.81 145.02 49.36 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.811 0.278 . . . . 0.0 110.964 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.2 tptm -80.01 157.4 26.79 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.97 139.73 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 O-C-N 121.168 -0.958 . . . . 0.0 112.042 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.67 -2.6 84.67 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.71 1.148 . . . . 0.0 114.037 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.434 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 64.5 mm-40 -89.67 167.68 12.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.823 1.312 . . . . 0.0 112.689 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -128.15 158.06 39.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.867 0.867 . . . . 0.0 113.169 -170.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt -142.81 161.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 126.893 2.077 . . . . 0.0 108.025 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -134.44 146.56 49.92 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.177 0.991 . . . . 0.0 111.82 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.06 143.73 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.63 1.172 . . . . 0.0 108.934 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.01 -140.41 44.75 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 123.709 0.671 . . . . 0.0 111.66 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.37 8.76 12.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.167 0.987 . . . . 0.0 111.156 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -133.19 -12.55 2.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.27 138.53 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.849 0.749 . . . . 0.0 110.879 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -125.24 142.39 51.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.671 1.189 . . . . 0.0 109.282 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -122.09 145.26 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.655 1.182 . . . . 0.0 108.178 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -137.82 129.65 28.54 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 122.691 0.397 . . . . 0.0 110.121 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.11 115.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 168.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' C' ' 31' ' ' ARG . 7.4 mt -89.53 -35.87 15.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.922 -0.486 . . . . 0.0 109.94 -174.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.65 178.46 40.26 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 113.933 0.333 . . . . 0.0 113.933 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.05 154.4 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.77 0.828 . . . . 0.0 110.268 172.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -151.93 108.35 3.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 169.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -132.31 23.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.04 1.07 57.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.059 0.944 . . . . 0.0 111.946 170.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 151.01 23.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.288 1.035 . . . . 0.0 110.66 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 t -134.01 125.59 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.763 0.825 . . . . 0.0 108.98 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.534 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.6 ttm180 -84.39 114.0 21.58 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -120.31 127.09 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 109.395 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.0 135.72 12.29 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.939 0.78 . . . . 0.0 111.873 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -121.79 127.86 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.385 1.074 . . . . 0.0 108.568 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -129.07 89.95 2.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.846 -0.534 . . . . 0.0 110.288 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.16 156.98 73.71 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.611 1.164 . . . . 0.0 110.22 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -62.74 151.88 81.43 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.558 2.172 . . . . 0.0 111.087 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -65.39 -1.07 2.18 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.579 0.751 . . . . 0.0 112.675 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.78 -22.31 66.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 111.337 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -123.71 147.9 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.23 1.012 . . . . 0.0 110.508 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.02 22.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 122.786 0.435 . . . . 0.0 111.29 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.96 130.31 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.126 0.57 . . . . 0.0 109.489 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -154.41 164.03 39.26 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.454 0.702 . . . . 0.0 111.263 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -80.88 160.28 24.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -60.56 -32.57 71.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.033 0.533 . . . . 0.0 112.252 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.69 -44.02 76.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.85 0.86 . . . . 0.0 111.743 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -90.75 -30.11 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.534 0.733 . . . . 0.0 110.72 -172.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -51.63 -35.96 44.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.755 0.822 . . . . 0.0 112.336 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -60.17 -30.52 69.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.427 0.691 . . . . 0.0 112.353 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.52 -36.63 76.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.536 0.734 . . . . 0.0 111.689 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.455 -0.215 0 O-C-N 122.121 -0.362 . . . . 0.0 110.156 176.75 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.6 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.41 107.13 9.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.234 2.614 . . . . 0.0 106.191 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -96.59 135.0 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.524 1.13 . . . . 0.0 109.471 -173.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.36 166.97 12.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.713 1.205 . . . . 0.0 111.129 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.41 109.91 15.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 107.957 168.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -122.14 129.5 52.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 109.975 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -73.94 153.36 39.81 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 111.062 171.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.761 HG11 HG12 ' D' ' 25' ' ' VAL . 15.6 m -57.38 139.07 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.365 0.602 . . . . 0.0 112.578 173.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.32 -6.34 83.45 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.643 1.116 . . . . 0.0 113.833 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.38 178.41 5.97 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.943 1.371 . . . . 0.0 112.579 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -131.13 156.33 45.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.737 0.815 . . . . 0.0 113.114 -169.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 57.0 mt -143.38 161.43 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.835 2.454 . . . . 0.0 108.782 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -140.28 152.23 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.377 -0.827 . . . . 0.0 112.482 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.16 139.26 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.782 1.233 . . . . 0.0 109.184 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.3 -135.7 51.38 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.78 10.05 5.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.059 0.943 . . . . 0.0 112.417 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -124.32 -14.53 6.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.934 0.894 . . . . 0.0 113.255 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.04 136.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.834 0.743 . . . . 0.0 110.881 -169.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -120.56 149.04 43.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.417 1.087 . . . . 0.0 109.706 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.5 142.92 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.312 1.445 . . . . 0.0 107.737 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -141.01 129.32 22.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.706 -0.622 . . . . 0.0 109.881 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -88.29 86.16 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.22 -32.21 73.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.821 -0.55 . . . . 0.0 111.753 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.93 -168.06 40.5 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.572 -0.823 . . . . 0.0 114.524 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.761 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -142.85 134.56 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.063 1.345 . . . . 0.0 110.246 -169.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 63.4 m -145.94 99.25 3.23 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.043 0.937 . . . . 0.0 109.818 -170.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -119.71 13.72 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.438 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mt-30 -97.16 -6.15 35.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.796 0.838 . . . . 0.0 111.038 173.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.2 159.98 25.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 112.573 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.98 124.37 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.588 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.37 113.98 18.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.85 115.97 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.662 0.785 . . . . 0.0 109.167 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.07 133.4 11.73 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 40.4 mt -122.71 138.64 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.953 0.901 . . . . 0.0 108.646 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -138.04 89.9 2.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.29 157.26 51.67 Favored Pre-proline 0 N--CA 1.451 -0.414 0 C-N-CA 124.681 1.193 . . . . 0.0 109.503 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.0 149.72 87.64 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 121.947 1.765 . . . . 0.0 110.41 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.65 -1.0 5.91 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.99 -23.94 66.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.926 1.291 . . . . 0.0 111.599 168.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.05 160.06 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.078 0.951 . . . . 0.0 110.879 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.96 157.09 16.06 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.464 0.706 . . . . 0.0 112.384 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.61 127.01 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 O-C-N 121.901 -0.5 . . . . 0.0 109.968 168.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -151.21 165.55 33.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.395 0.678 . . . . 0.0 111.991 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.56 158.19 18.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.267 0.627 . . . . 0.0 109.803 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.77 -36.73 79.7 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 121.722 -0.611 . . . . 0.0 111.305 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.25 -17.01 64.62 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -102.12 -40.59 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.021 0.928 . . . . 0.0 110.968 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -46.6 -39.83 11.81 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.344 1.458 . . . . 0.0 112.088 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.79 -26.09 67.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.828 1.251 . . . . 0.0 113.515 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.41 26.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.557 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.095 0.558 . . . . 0.0 110.303 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.02 127.05 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 158.01 26.51 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.797 1.639 . . . . 0.0 110.129 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 5' ' ' THR . . . . . 0.509 HG22 ' HG3' ' F' ' 29' ' ' GLN . 1.5 m -127.12 132.72 50.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 168.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -142.06 134.82 28.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.324 0.65 . . . . 0.0 111.367 -168.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.63 161.31 14.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 122.755 0.422 . . . . 0.0 111.311 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 8' ' ' VAL . . . . . 0.609 HG11 HG12 ' E' ' 25' ' ' VAL . 10.5 m -57.77 139.71 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.984 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.11 -3.57 86.95 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.163 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.5 172.98 8.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.695 1.247 . . . . 0.0 111.493 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -137.06 156.8 47.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.47 155.34 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 126.631 1.972 . . . . 0.0 108.563 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -133.72 151.04 51.52 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -136.88 137.56 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.732 1.213 . . . . 0.0 109.047 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -136.76 49.8 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -124.68 9.96 8.36 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.176 0.991 . . . . 0.0 111.624 174.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.65 -7.38 1.47 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.69 135.36 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.988 0.813 . . . . 0.0 110.811 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -127.87 142.72 51.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.535 1.134 . . . . 0.0 110.062 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.21 137.32 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.501 . . . . 0.0 108.317 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -131.98 128.24 37.99 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.228 0.611 . . . . 0.0 109.79 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.51 103.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.74 -32.18 67.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.985 -0.447 . . . . 0.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.4 -176.03 40.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 113.852 0.301 . . . . 0.0 113.852 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.609 HG12 HG11 ' E' ' 8' ' ' VAL . 7.8 p -138.43 134.21 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.55 1.14 . . . . 0.0 111.658 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -149.99 110.04 4.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.835 1.254 . . . . 0.0 110.287 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.57 -124.2 23.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -89.81 -14.72 33.87 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.341 0.571 . . . . 0.0 111.773 170.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.08 148.91 27.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.215 1.007 . . . . 0.0 111.927 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.24 111.73 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -87.01 123.63 32.32 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -128.08 130.65 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.879 0.871 . . . . 0.0 110.427 -168.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.72 143.06 16.41 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.391 0.996 . . . . 0.0 111.464 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -134.44 126.55 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.746 1.219 . . . . 0.0 108.978 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -126.27 100.9 6.5 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.01 0.524 . . . . 0.0 109.589 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 154.89 73.52 Favored Pre-proline 0 N--CA 1.452 -0.349 0 C-N-CA 124.389 1.076 . . . . 0.0 110.541 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.72 158.89 39.77 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.866 2.377 . . . . 0.0 112.15 172.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -72.64 -0.97 14.46 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 171.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.11 -21.35 66.35 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.274 1.03 . . . . 0.0 111.377 168.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.84 158.6 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.358 1.063 . . . . 0.0 110.526 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.19 158.86 15.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.04 129.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.092 0.557 . . . . 0.0 110.511 171.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -151.82 170.44 19.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.933 0.893 . . . . 0.0 111.31 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -80.47 161.1 25.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 168.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.16 -18.49 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -169.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.55 -53.98 49.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.263 0.625 . . . . 0.0 110.42 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.34 -38.8 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.121 0.568 . . . . 0.0 109.579 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.143 0.977 . . . . 0.0 112.652 -177.834 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.72 149.4 21.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.012 -0.43 . . . . 0.0 111.481 175.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.48 133.92 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -130.94 162.94 28.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.695 1.198 . . . . 0.0 109.876 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -128.81 102.47 6.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 167.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.579 ' HD2' HD11 ' F' ' 12' ' ' ILE . 3.7 mmp_? -104.91 156.07 18.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.859 0.864 . . . . 0.0 109.652 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -114.12 167.56 10.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.72 132.63 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.912 -168.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.04 -11.44 65.83 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.384 0.992 . . . . 0.0 114.326 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -89.59 165.14 14.44 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.891 1.346 . . . . 0.0 112.407 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -134.29 151.56 51.33 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.579 HD11 ' HD2' ' F' ' 6' ' ' ARG . 48.4 mm -129.72 154.73 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 127.428 2.291 . . . . 0.0 108.385 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -134.03 146.05 50.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.485 -0.759 . . . . 0.0 111.235 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -135.53 142.54 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.386 1.074 . . . . 0.0 109.256 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.82 -132.3 51.04 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.83 10.09 5.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.155 0.982 . . . . 0.0 112.473 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -136.21 -16.17 1.66 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.18 136.95 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.345 0.975 . . . . 0.0 110.823 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -133.0 142.5 48.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.197 0.999 . . . . 0.0 110.631 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -123.3 142.68 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 125.96 1.704 . . . . 0.0 108.165 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -138.17 130.16 28.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.945 0.498 . . . . 0.0 110.152 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.05 114.89 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -85.65 -28.96 24.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.567 0.747 . . . . 0.0 110.95 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.47 -177.63 33.36 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.832 0.254 . . . . 0.0 113.66 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -120.89 158.44 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 123.561 0.744 . . . . 0.0 112.414 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -149.13 89.95 1.7 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.092 1.357 . . . . 0.0 108.092 168.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.36 -124.4 34.62 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -169.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.15 -17.84 61.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.556 0.742 . . . . 0.0 112.912 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 29' ' ' GLN . . . . . 0.509 ' HG3' HG22 ' E' ' 5' ' ' THR . 17.7 tt0 -85.54 143.49 28.47 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.59 118.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 125.485 1.514 . . . . 0.0 107.293 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -93.13 127.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.211 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.11 138.62 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.927 0.891 . . . . 0.0 110.761 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 142.26 15.52 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.184 0.897 . . . . 0.0 111.327 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -130.55 133.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.616 1.166 . . . . 0.0 109.494 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -132.95 108.36 8.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.655 0.782 . . . . 0.0 109.437 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.84 157.94 76.62 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.745 0.818 . . . . 0.0 111.418 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.21 162.14 37.26 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.092 2.528 . . . . 0.0 112.226 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -67.96 -11.85 59.61 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.706 0.802 . . . . 0.0 112.667 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -20.5 66.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.07 1.348 . . . . 0.0 112.686 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.98 165.69 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.741 0.817 . . . . 0.0 111.336 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.43 160.9 14.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.29 0.636 . . . . 0.0 111.729 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 p -154.98 114.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.737 0.815 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -152.28 174.21 14.07 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.851 0.86 . . . . 0.0 110.416 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.53 163.6 24.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.733 -0.604 . . . . 0.0 110.342 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -62.32 -25.96 68.17 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.05 0.54 . . . . 0.0 112.358 -172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.86 -44.26 90.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 111.676 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -86.62 -28.92 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.553 0.741 . . . . 0.0 109.739 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 123.919 0.888 . . . . 0.0 112.843 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.45 110.69 23.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.601 0.76 . . . . 0.0 109.602 -176.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.35 135.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.125 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.85 158.07 43.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.406 1.082 . . . . 0.0 109.772 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.4 m -119.88 100.96 7.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.63 140.88 41.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.134 0.973 . . . . 0.0 110.456 -169.293 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -105.87 155.48 19.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.941 0.337 . . . . 0.0 110.204 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.35 121.95 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.762 0.825 . . . . 0.0 110.584 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.48 -0.55 59.84 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.256 0.932 . . . . 0.0 114.272 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -101.16 166.52 10.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.71 1.255 . . . . 0.0 111.631 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 150.11 51.11 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' HD2' ' A' ' 6' ' ' ARG . 33.1 mm -112.31 155.04 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.722 1.609 . . . . 0.0 109.842 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -123.65 140.51 52.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.854 1.262 . . . . 0.0 110.201 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.97 134.45 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.162 0.985 . . . . 0.0 109.583 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.9 -129.14 29.59 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.04 2.23 4.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.592 0.757 . . . . 0.0 112.363 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -134.48 -14.14 2.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.04 137.9 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.785 0.834 . . . . 0.0 110.111 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.24 148.23 47.95 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.605 0.762 . . . . 0.0 109.303 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.13 141.85 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.906 1.283 . . . . 0.0 108.053 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 m -138.0 136.03 36.52 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.434 0.561 . . . . 0.0 109.91 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.31 101.14 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.93 58.05 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.664 -0.648 . . . . 0.0 111.39 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -167.95 40.68 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 118.108 0.413 . . . . 0.0 113.331 169.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.47 145.57 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.269 0.628 . . . . 0.0 111.607 -172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -137.36 67.21 1.44 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 110.154 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -127.46 9.12 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -80.32 -12.31 59.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 17.9 pt20 -98.77 133.05 43.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 122.518 1.152 . . . . 0.0 111.668 174.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.92 127.16 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 126.256 1.822 . . . . 0.0 108.287 -169.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -89.17 101.9 14.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.36 135.75 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.474 1.11 . . . . 0.0 109.395 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.37 141.63 17.1 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.147 0.879 . . . . 0.0 111.934 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.59 140.89 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.442 1.497 . . . . 0.0 108.503 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -129.11 74.99 1.62 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.786 1.234 . . . . 0.0 109.328 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.36 153.95 45.48 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 125.158 1.383 . . . . 0.0 110.775 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.6 155.64 49.73 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.556 2.171 . . . . 0.0 110.7 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -67.33 -5.77 15.77 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.25 -24.68 65.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.036 0.935 . . . . 0.0 112.084 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -120.38 144.1 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.886 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 143.04 38.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.426 1.091 . . . . 0.0 111.533 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 t -127.37 120.19 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -147.82 -176.02 5.1 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.892 0.877 . . . . 0.0 110.514 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.86 167.61 16.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 112.175 171.288 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.837 0.855 . . . . 0.0 112.334 -173.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -58.53 -25.18 62.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.871 1.268 . . . . 0.0 113.091 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.07 -24.29 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.151 1.38 . . . . 0.0 111.126 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.451 -0.378 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -174.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.16 122.0 42.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 107.499 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 mt -118.68 141.25 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.076 0.55 . . . . 0.0 112.073 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.06 135.3 29.04 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.658 1.183 . . . . 0.0 111.176 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -83.33 126.41 32.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 166.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -126.59 116.79 21.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.929 0.492 . . . . 0.0 110.028 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 58.8 tttt -82.7 149.08 27.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -57.28 128.57 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.607 -169.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.68 -6.86 59.11 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.926 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -88.77 167.81 12.99 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.068 1.434 . . . . 0.0 111.862 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -130.13 150.93 51.17 Favored 'General case' 0 C--N 1.338 0.073 0 C-N-CA 123.867 0.867 . . . . 0.0 112.873 -168.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 15.1 mt -132.42 153.69 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 126.502 1.921 . . . . 0.0 109.761 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -136.68 141.2 43.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 121.645 -0.659 . . . . 0.0 111.911 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -134.26 132.42 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 109.816 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.61 -137.4 50.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.8 4.02 9.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.627 0.771 . . . . 0.0 112.084 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.56 -15.42 8.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.792 0.837 . . . . 0.0 112.891 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.75 135.85 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 118.823 0.738 . . . . 0.0 110.654 -172.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -131.84 148.71 52.57 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.697 1.199 . . . . 0.0 109.759 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mm -130.6 144.47 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.708 1.603 . . . . 0.0 108.226 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -137.49 135.47 36.83 Favored 'General case' 0 C--N 1.334 -0.097 0 O-C-N 122.028 -0.42 . . . . 0.0 110.378 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.43 100.21 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.11 -29.52 60.6 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.695 -0.628 . . . . 0.0 111.394 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.3 -174.37 37.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 122.552 0.12 . . . . 0.0 113.129 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.99 154.93 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 CA-C-O 121.311 0.577 . . . . 0.0 111.459 177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -140.22 74.0 1.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.127 1.371 . . . . 0.0 108.637 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.96 -116.71 4.26 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -101.59 8.53 41.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.465 0.706 . . . . 0.0 110.881 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.97 154.36 18.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.912 0.885 . . . . 0.0 110.236 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.75 118.23 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.684 0.794 . . . . 0.0 109.246 -169.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -87.7 121.68 30.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.915 0.886 . . . . 0.0 109.696 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -131.25 134.53 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.492 1.117 . . . . 0.0 109.716 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 140.66 15.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 123.504 0.573 . . . . 0.0 111.743 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.08 132.17 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.867 0.867 . . . . 0.0 109.488 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -133.03 75.05 1.6 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.526 -168.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.65 157.49 51.91 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.773 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.78 156.66 41.89 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.05 1.834 . . . . 0.0 111.241 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -67.26 -0.73 3.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.166 0.987 . . . . 0.0 112.357 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.88 -25.74 67.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.707 1.603 . . . . 0.0 111.366 171.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.13 144.15 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.659 1.184 . . . . 0.0 110.286 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.72 142.8 29.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 111.403 169.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -143.45 95.07 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.974 -166.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 161.36 40.69 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.28 0.632 . . . . 0.0 111.699 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.4 ptt-85 -67.53 158.38 32.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -54.75 -36.75 65.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.711 0.804 . . . . 0.0 112.107 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -51.19 58.21 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.13 0.572 . . . . 0.0 111.437 174.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -71.08 -45.49 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.747 1.219 . . . . 0.0 110.491 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -51.87 -37.6 52.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.925 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -68.42 -25.07 64.84 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -81.51 -38.65 25.93 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.943 0.792 . . . . 0.0 110.461 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.94 -41.4 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -79.89 5.11 14.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.56 -15.43 56.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.07 0.548 . . . . 0.0 111.698 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.05 46.2 0.13 Allowed Glycine 0 C--N 1.338 0.644 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.146 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.95 -176.62 2.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 113.009 -168.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -126.45 178.0 6.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.623 1.569 . . . . 0.0 109.15 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.03 118.68 0.96 Allowed Pre-proline 0 CA--C 1.53 0.193 0 C-N-CA 124.798 1.239 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.02 175.34 8.45 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.872 1.715 . . . . 0.0 113.771 -169.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.51 173.105 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.25 115.38 30.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.041 1.337 . . . . 0.0 108.338 170.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.41 133.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.583 0.753 . . . . 0.0 109.886 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.14 134.9 51.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.817 0.847 . . . . 0.0 109.52 168.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -90.2 139.24 30.83 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.77 130.2 18.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -75.55 151.3 37.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.503 1.121 . . . . 0.0 109.418 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.45 140.6 17.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 O-C-N 121.545 -0.722 . . . . 0.0 112.264 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.77 -3.92 84.93 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.661 1.124 . . . . 0.0 114.06 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -85.87 172.54 10.66 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.7 1.25 . . . . 0.0 112.706 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -132.63 157.7 44.13 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.174 0.99 . . . . 0.0 112.928 -172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -141.64 154.68 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 C-N-CA 127.021 2.129 . . . . 0.0 108.564 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -125.47 147.64 49.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.354 1.062 . . . . 0.0 111.757 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -136.12 139.97 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.887 1.275 . . . . 0.0 109.094 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -138.8 47.49 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.681 0.658 . . . . 0.0 111.622 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.76 7.46 11.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.142 0.977 . . . . 0.0 111.38 169.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -132.5 -11.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 113.398 -169.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.74 137.31 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 118.77 0.714 . . . . 0.0 110.788 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -126.59 143.73 51.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.494 1.117 . . . . 0.0 109.519 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -124.17 142.5 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.165 1.386 . . . . 0.0 108.202 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -135.4 131.98 36.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 122.117 -0.364 . . . . 0.0 110.452 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -88.06 111.99 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 168.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.402 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -88.65 -35.93 16.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.882 -0.511 . . . . 0.0 110.041 -175.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.33 178.58 40.18 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 113.945 0.338 . . . . 0.0 113.945 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.15 149.76 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.541 0.736 . . . . 0.0 110.589 172.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -144.88 104.38 3.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.566 1.146 . . . . 0.0 108.58 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.64 -128.68 27.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -169.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.71 -1.28 55.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.9 0.88 . . . . 0.0 112.208 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.59 153.98 22.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.445 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.59 122.89 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.18 0.992 . . . . 0.0 108.51 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.402 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.8 ttm180 -79.31 114.66 18.42 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 169.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.92 123.22 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.574 1.149 . . . . 0.0 109.602 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 141.81 20.68 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.138 1.351 . . . . 0.0 111.908 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -132.13 132.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -137.99 89.99 2.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.0 157.34 78.36 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.253 1.021 . . . . 0.0 110.127 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.76 154.16 71.11 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.635 2.223 . . . . 0.0 111.341 171.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.38 -0.88 2.93 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.534 0.734 . . . . 0.0 112.626 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.376 1.07 . . . . 0.0 111.445 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.27 151.85 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.172 0.989 . . . . 0.0 110.852 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.01 154.42 22.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.116 0.566 . . . . 0.0 111.571 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.45 128.94 21.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 123.053 0.541 . . . . 0.0 109.876 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -155.63 162.68 40.57 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.238 0.615 . . . . 0.0 111.787 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -77.57 163.72 26.01 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 165.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.81 -27.54 67.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.046 -0.409 . . . . 0.0 111.768 -170.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.02 -44.67 87.45 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.869 0.868 . . . . 0.0 111.456 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.23 -31.76 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 118.871 -0.585 . . . . 0.0 110.91 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.567 ' HA ' HD13 ' C' ' 51' ' ' ILE . 22.5 t80 -49.4 -41.28 39.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.64 0.654 . . . . 0.0 111.422 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -51.55 -20.75 2.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.576 1.95 . . . . 0.0 113.893 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -87.12 -39.18 15.78 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.567 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp . . . . . 0 N--CA 1.462 0.171 0 C-N-CA 125.28 1.432 . . . . 0.0 112.587 -168.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -128.08 109.28 11.38 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.093 1.757 . . . . 0.0 106.571 166.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.51 124.88 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 108.475 -172.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 mt -110.37 169.06 8.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.861 0.864 . . . . 0.0 110.031 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.79 109.82 12.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -117.32 131.52 56.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.851 0.861 . . . . 0.0 110.028 -168.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -75.61 153.27 37.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.523 0.601 . . . . 0.0 110.582 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.76 HG11 HG12 ' D' ' 25' ' ' VAL . 16.0 m -55.69 135.57 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.078 170.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.33 -2.52 74.65 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.391 0.996 . . . . 0.0 114.144 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -97.44 175.98 6.04 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.995 1.398 . . . . 0.0 112.642 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -132.44 161.89 32.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.82 0.848 . . . . 0.0 113.252 -168.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -146.1 159.24 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 127.278 2.231 . . . . 0.0 108.293 -171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.1 149.75 52.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.256 -0.902 . . . . 0.0 112.01 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -134.25 139.23 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.748 1.219 . . . . 0.0 109.802 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -134.75 52.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 10.02 5.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.698 0.799 . . . . 0.0 112.32 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -126.55 -13.09 6.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.008 0.923 . . . . 0.0 113.298 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.53 133.4 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.91 0.777 . . . . 0.0 110.515 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -117.28 148.85 41.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.962 0.905 . . . . 0.0 109.606 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.92 144.84 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.988 1.315 . . . . 0.0 108.164 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -140.48 140.8 35.39 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.834 -0.541 . . . . 0.0 109.849 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -98.82 91.56 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.93 -33.02 74.68 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.709 -0.619 . . . . 0.0 111.735 -168.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.99 40.88 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-O 121.474 0.486 . . . . 0.0 113.52 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.76 HG12 HG11 ' D' ' 8' ' ' VAL . 7.6 p -139.72 133.59 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.523 1.129 . . . . 0.0 110.077 -169.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -139.79 88.13 2.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.027 1.331 . . . . 0.0 109.232 -169.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -123.05 22.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -171.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -8.47 44.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.679 0.791 . . . . 0.0 110.98 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.17 156.42 20.34 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.893 0.854 . . . . 0.0 111.779 170.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.09 127.58 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 124.19 0.996 . . . . 0.0 108.7 -173.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -83.47 112.66 20.16 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 122.936 0.495 . . . . 0.0 109.85 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -115.23 120.79 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.352 0.661 . . . . 0.0 109.426 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.8 139.27 14.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.71 1.148 . . . . 0.0 110.862 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.4 mt -134.18 134.96 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -137.99 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.05 157.56 48.34 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.775 1.23 . . . . 0.0 109.032 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.85 149.45 90.06 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.591 1.528 . . . . 0.0 110.107 169.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -68.71 -1.02 6.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.79 -0.569 . . . . 0.0 112.512 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.96 -23.21 66.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.121 1.369 . . . . 0.0 111.779 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.31 160.04 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.182 0.993 . . . . 0.0 110.928 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.82 157.06 16.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.32 0.648 . . . . 0.0 112.677 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.46 126.01 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.925 0.49 . . . . 0.0 109.846 167.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -150.11 164.68 34.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.537 0.735 . . . . 0.0 111.538 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -60.93 156.95 16.35 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 168.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.55 -35.84 77.0 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.855 0.752 . . . . 0.0 111.457 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.42 -23.8 66.36 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 24.4 mm -95.1 -35.4 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.562 1.145 . . . . 0.0 111.064 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -51.68 -41.31 61.33 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.139 0.976 . . . . 0.0 111.185 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.66 -22.15 63.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.58 1.152 . . . . 0.0 113.213 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -81.03 -45.52 16.43 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.085 0.954 . . . . 0.0 110.837 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.57 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.1 mp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 171.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.46 138.95 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.011 0.925 . . . . 0.0 109.274 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.7 165.04 34.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.114 0.966 . . . . 0.0 112.052 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.86 127.65 49.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.468 0.707 . . . . 0.0 109.926 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.27 125.03 31.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.929 1.291 . . . . 0.0 109.919 -170.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -90.57 166.45 13.2 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 119.762 1.164 . . . . 0.0 112.457 174.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.85 137.02 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.967 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.56 83.87 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.125 0.869 . . . . 0.0 114.206 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -93.06 172.58 8.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.782 1.291 . . . . 0.0 111.595 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.36 158.41 44.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -138.49 156.38 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 126.914 2.085 . . . . 0.0 108.223 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.98 150.7 49.35 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.48 -0.763 . . . . 0.0 113.049 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.57 139.86 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.728 1.211 . . . . 0.0 108.995 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -138.3 49.74 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.12 4.46 9.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.94 0.896 . . . . 0.0 111.715 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.92 -3.65 2.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.748 0.819 . . . . 0.0 113.052 -170.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.87 133.97 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.87 0.759 . . . . 0.0 110.62 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -127.16 144.89 50.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.379 1.072 . . . . 0.0 109.997 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -126.24 140.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.272 1.429 . . . . 0.0 108.013 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -137.69 126.98 24.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.781 0.432 . . . . 0.0 109.913 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.35 105.34 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.38 -29.95 57.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.939 0.496 . . . . 0.0 110.904 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.91 -174.76 35.24 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.383 0.516 . . . . 0.0 113.673 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -120.6 155.45 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.029 0.932 . . . . 0.0 111.655 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -141.75 89.93 2.24 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.795 1.238 . . . . 0.0 109.112 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -104.97 1.45 Allowed Glycine 0 CA--C 1.524 0.647 0 O-C-N 121.827 -0.546 . . . . 0.0 111.891 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -98.42 -20.11 17.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.595 0.697 . . . . 0.0 111.894 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -71.4 148.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.278 0.631 . . . . 0.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 t -139.75 116.93 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -90.63 124.86 35.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.211 0.605 . . . . 0.0 109.682 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.91 130.04 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.083 0.553 . . . . 0.0 110.667 -168.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.47 143.89 16.76 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.263 0.935 . . . . 0.0 111.864 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.7 mt -133.77 126.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.455 1.502 . . . . 0.0 108.474 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -128.83 98.9 5.12 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -172.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.08 155.98 74.18 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 124.936 1.294 . . . . 0.0 110.014 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.43 159.09 32.98 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.585 2.19 . . . . 0.0 111.974 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' E' ' 38' ' ' LYS . 12.5 mmmm -69.27 -0.91 6.84 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.907 0.883 . . . . 0.0 112.642 169.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.92 -23.59 67.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 169.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.88 157.84 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 111.074 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.39 155.99 18.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.975 0.51 . . . . 0.0 111.878 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.99 125.52 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.877 0.471 . . . . 0.0 110.508 169.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -150.91 170.85 18.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -80.23 162.5 24.61 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.64 -0.662 . . . . 0.0 110.646 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -59.51 -26.5 65.36 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.365 0.666 . . . . 0.0 112.292 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -61.32 -49.9 75.13 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.259 1.024 . . . . 0.0 111.438 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.74 -31.83 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 N--CA 1.452 -0.355 0 C-N-CA 124.446 1.098 . . . . 0.0 112.583 178.892 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.61 149.31 21.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.072 -0.393 . . . . 0.0 111.413 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.0 128.04 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.41 0.684 . . . . 0.0 109.157 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.53 152.13 32.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.973 1.309 . . . . 0.0 109.262 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.73 97.02 4.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.82 145.09 51.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.55 0.74 . . . . 0.0 111.359 -175.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.67 174.18 7.39 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.88 139.12 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -5.6 82.2 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.862 0.744 . . . . 0.0 114.46 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.68 175.66 10.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.762 1.281 . . . . 0.0 112.742 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -145.33 150.07 35.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.504 1.122 . . . . 0.0 110.856 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.41 157.08 41.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 125.627 1.571 . . . . 0.0 108.605 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -130.88 149.48 52.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.285 -0.885 . . . . 0.0 112.159 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.4 mt -136.39 143.13 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.486 1.114 . . . . 0.0 109.07 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.74 -138.46 48.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -124.93 10.0 8.21 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.078 0.951 . . . . 0.0 112.31 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -133.16 -9.89 2.96 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.75 137.63 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.404 1.002 . . . . 0.0 111.217 -171.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -131.35 145.16 51.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.352 1.061 . . . . 0.0 110.589 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -124.25 141.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 126.037 1.735 . . . . 0.0 108.453 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 15.4 m -135.81 138.76 42.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.095 0.958 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -96.11 112.11 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.38 -28.25 41.9 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.649 0.38 . . . . 0.0 110.149 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.28 -169.42 31.52 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.611 0.624 . . . . 0.0 113.327 168.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.34 160.7 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.355 0.662 . . . . 0.0 112.04 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -148.99 95.88 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.493 1.117 . . . . 0.0 109.306 169.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.47 -102.93 1.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -100.47 -19.4 16.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.404 0.602 . . . . 0.0 112.126 171.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.59 144.75 45.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.05 0.54 . . . . 0.0 110.518 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.33 112.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -88.09 124.82 34.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.185 0.594 . . . . 0.0 109.489 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.98 142.45 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.408 1.083 . . . . 0.0 109.845 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.23 143.53 17.56 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.383 0.992 . . . . 0.0 111.128 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 57.3 mt -135.54 127.87 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.497 1.119 . . . . 0.0 109.662 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -124.68 105.72 9.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.577 0.751 . . . . 0.0 109.456 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.28 158.36 75.42 Favored Pre-proline 0 N--CA 1.453 -0.292 0 C-N-CA 124.207 1.003 . . . . 0.0 110.93 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.21 159.72 41.96 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.746 2.297 . . . . 0.0 112.357 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.5 -12.57 45.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -16.38 63.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 112.406 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.35 168.09 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.955 0.902 . . . . 0.0 110.875 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.63 158.88 15.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.347 0.659 . . . . 0.0 111.389 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.01 120.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.552 0.741 . . . . 0.0 109.993 174.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.68 177.73 11.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.937 0.895 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -79.66 164.09 24.04 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.045 -0.409 . . . . 0.0 109.939 168.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.39 -26.05 66.36 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.141 0.576 . . . . 0.0 112.426 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.23 -48.16 82.9 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.868 0.867 . . . . 0.0 111.4 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -83.46 -26.27 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.251 0.621 . . . . 0.0 110.347 -169.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 123.825 0.85 . . . . 0.0 112.686 174.363 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 113.48 25.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.137 0.88 . . . . 0.0 109.844 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.46 138.66 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.876 0.87 . . . . 0.0 110.05 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.2 mt -135.09 158.28 44.77 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.618 1.167 . . . . 0.0 109.831 173.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.7 m -126.81 118.02 23.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.821 0.848 . . . . 0.0 109.225 -173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -130.76 138.7 50.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.947 0.499 . . . . 0.0 111.399 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 158.94 18.59 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 168.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' HA2' ' A' ' 24' ' ' GLY . 70.1 t -43.28 127.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 111.146 174.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.7 -5.71 56.9 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.358 0.98 . . . . 0.0 114.584 174.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -92.82 165.55 12.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.973 1.386 . . . . 0.0 112.268 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.56 146.18 47.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.3 mm -110.41 157.4 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.366 1.466 . . . . 0.0 110.053 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.64 139.46 51.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.485 1.114 . . . . 0.0 110.142 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mt -133.72 128.75 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.152 0.981 . . . . 0.0 109.558 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.84 -128.75 32.23 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -123.86 -1.71 8.35 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.735 0.814 . . . . 0.0 112.498 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.76 -19.31 1.36 Allowed 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -169.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.16 132.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 119.188 0.904 . . . . 0.0 110.392 -172.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -127.08 142.09 51.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.749 0.82 . . . . 0.0 109.641 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -123.4 143.79 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.827 1.251 . . . . 0.0 108.335 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -139.29 135.76 34.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.477 0.58 . . . . 0.0 110.237 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.03 100.08 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.66 -30.26 62.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.99 -0.444 . . . . 0.0 110.215 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.77 -173.06 43.35 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 117.709 0.232 . . . . 0.0 113.497 169.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.84 156.29 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.8 0.84 . . . . 0.0 111.658 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -141.74 62.33 1.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.382 1.073 . . . . 0.0 109.976 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.54 -116.71 4.99 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.29 -14.98 58.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.28 0.632 . . . . 0.0 112.446 -175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -101.17 153.6 19.46 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.982 0.896 . . . . 0.0 112.644 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -132.37 117.3 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.937 1.695 . . . . 0.0 107.868 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -91.82 101.97 14.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.079 0.466 . . . . 0.0 110.046 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.81 133.42 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.881 1.272 . . . . 0.0 109.258 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.21 138.18 13.96 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.718 0.675 . . . . 0.0 111.454 170.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -111.94 130.61 65.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.365 1.466 . . . . 0.0 108.105 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -119.35 74.96 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.297 1.039 . . . . 0.0 109.1 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.37 153.83 40.2 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.191 1.396 . . . . 0.0 110.614 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.99 153.54 57.86 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.491 2.127 . . . . 0.0 110.405 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -68.0 -4.32 12.9 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.63 -22.95 63.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 112.29 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.91 144.08 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.803 0.811 . . . . 0.0 111.685 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.08 30.91 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.157 0.983 . . . . 0.0 110.842 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 129.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.699 0.4 . . . . 0.0 110.743 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -153.29 174.49 14.23 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.031 0.932 . . . . 0.0 110.762 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -108.1 164.78 11.99 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.704 0.402 . . . . 0.0 111.657 169.144 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.23 -24.43 67.34 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.22 -13.91 62.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.703 0.801 . . . . 0.0 111.902 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.16 -28.81 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.578 1.151 . . . . 0.0 110.907 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 N--CA 1.452 -0.338 0 O-C-N 121.391 -0.818 . . . . 0.0 110.678 -174.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.7 122.55 44.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 168.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -118.99 140.09 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.937 0.495 . . . . 0.0 111.968 -164.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -141.55 135.28 29.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.381 1.072 . . . . 0.0 111.079 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.0 p -86.83 125.32 33.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 166.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.2 OUTLIER -122.47 121.77 37.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.003 -178.08 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -74.42 155.25 38.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.867 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 24.5 m -63.32 124.63 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.852 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.55 56.71 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 118.926 -0.93 . . . . 0.0 115.031 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -90.88 166.57 13.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 119.05 1.425 . . . . 0.0 111.755 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -129.26 157.58 41.47 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.704 0.802 . . . . 0.0 113.026 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 22.6 mt -132.76 155.24 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.24 1.816 . . . . 0.0 109.532 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.23 139.0 40.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.922 -171.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.03 126.61 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.327 1.051 . . . . 0.0 109.462 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.01 52.2 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.03 4.91 5.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.809 0.844 . . . . 0.0 112.869 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -111.08 -22.1 11.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.71 137.76 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.983 0.81 . . . . 0.0 111.51 -169.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.54 152.19 51.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.016 1.326 . . . . 0.0 109.732 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -129.92 146.36 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.246 1.818 . . . . 0.0 107.737 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -139.32 133.58 31.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.669 0.388 . . . . 0.0 110.07 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.65 98.97 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -69.07 -32.81 72.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 122.097 -0.377 . . . . 0.0 111.283 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.05 -174.09 37.6 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 122.134 -0.079 . . . . 0.0 113.138 169.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.39 154.23 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.187 0.595 . . . . 0.0 110.912 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -138.3 77.81 1.65 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.732 1.213 . . . . 0.0 108.507 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.58 -115.9 4.25 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.71 15.12 23.92 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.078 0.439 . . . . 0.0 111.494 169.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -99.02 156.43 16.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.789 1.235 . . . . 0.0 109.962 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -140.31 119.86 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.782 0.833 . . . . 0.0 109.131 -168.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.52 119.21 30.6 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.935 1.294 . . . . 0.0 109.27 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.02 133.61 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.062 0.945 . . . . 0.0 110.377 -169.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.59 143.9 16.73 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 123.818 0.723 . . . . 0.0 112.204 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mt -125.98 129.73 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.231 1.012 . . . . 0.0 109.3 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -130.29 74.98 1.62 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.556 -168.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.49 48.27 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.416 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.84 156.6 37.37 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.779 1.653 . . . . 0.0 110.176 169.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -0.92 19.66 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 121.742 0.782 . . . . 0.0 111.04 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -22.82 66.57 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.837 1.655 . . . . 0.0 111.743 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.75 144.08 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.237 1.015 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 141.88 29.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.509 0.671 . . . . 0.0 111.602 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -141.98 95.4 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.053 -166.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.1 159.62 43.38 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 121.953 -0.467 . . . . 0.0 112.049 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.9 ptt-85 -67.15 160.54 26.62 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.169 0.588 . . . . 0.0 111.884 170.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -57.15 -41.08 78.47 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.217 0.607 . . . . 0.0 112.436 -172.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.07 -1.81 11.01 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -106.13 -51.67 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.279 1.031 . . . . 0.0 109.57 169.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -50.61 -37.11 38.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.452 1.501 . . . . 0.0 112.276 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.95 -21.81 63.23 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.97 -39.86 25.36 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.588 0.631 . . . . 0.0 110.683 170.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 99.7 mt -65.0 -39.04 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -80.4 5.04 16.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 173.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.66 -17.67 43.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.281 0.633 . . . . 0.0 112.075 169.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.51 47.36 0.09 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-O 119.526 -0.597 . . . . 0.0 114.417 169.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.94 -176.38 2.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.761 0.781 . . . . 0.0 112.882 -168.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -128.94 175.58 8.55 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.437 1.495 . . . . 0.0 109.016 167.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.95 118.46 0.67 Allowed Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.88 1.672 . . . . 0.0 113.282 -176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 41.5 Cg_exo -67.9 151.95 77.63 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.483 2.122 . . . . 0.0 112.987 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 124.032 0.933 . . . . 0.0 112.686 167.384 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 110.2 18.07 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.566 1.547 . . . . 0.0 106.945 164.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.31 136.17 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 124.171 0.988 . . . . 0.0 110.111 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.205 1.002 . . . . 0.0 109.549 169.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -94.89 147.26 23.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.014 0.526 . . . . 0.0 110.248 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 150.9 36.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.668 0.787 . . . . 0.0 111.374 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -85.36 156.13 21.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.195 0.998 . . . . 0.0 108.826 169.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.86 141.19 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 119.211 0.914 . . . . 0.0 111.686 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.42 -3.24 86.81 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.677 1.132 . . . . 0.0 114.743 -174.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.59 -176.08 6.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.712 1.756 . . . . 0.0 113.306 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -140.72 147.42 39.16 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 125.256 1.423 . . . . 0.0 112.318 -166.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' D' ' 44' ' ' ARG . 31.3 mm -144.15 153.92 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 126.996 2.118 . . . . 0.0 107.529 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.38 147.07 51.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.256 -0.902 . . . . 0.0 112.044 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -135.12 134.57 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.585 1.154 . . . . 0.0 109.221 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -140.17 46.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.789 0.709 . . . . 0.0 111.7 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -120.14 9.97 11.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.302 1.041 . . . . 0.0 111.35 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -127.89 -14.95 4.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 112.936 -170.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.38 136.55 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 118.614 0.643 . . . . 0.0 110.826 -172.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -126.16 138.93 53.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.571 1.148 . . . . 0.0 108.972 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.21 138.91 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -129.0 142.67 50.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.128 0.971 . . . . 0.0 109.45 -172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -103.08 129.59 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.47 -38.47 7.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.27 176.86 39.0 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.506 -0.378 . . . . 0.0 114.042 166.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.01 147.62 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.262 169.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -144.54 98.61 3.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.902 1.281 . . . . 0.0 107.862 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.84 -140.88 23.77 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.828 -169.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.76 5.67 24.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.963 0.905 . . . . 0.0 110.423 168.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.93 145.56 24.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.405 HG11 HG11 ' D' ' 30' ' ' VAL . 43.8 t -136.35 113.31 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -172.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -83.48 111.75 19.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.8 138.34 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.04 1.736 . . . . 0.0 109.114 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.42 139.9 14.66 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.022 0.82 . . . . 0.0 111.288 170.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.4 122.12 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.899 0.88 . . . . 0.0 108.815 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -123.28 93.05 3.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.942 0.497 . . . . 0.0 110.227 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.89 156.95 79.52 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.63 1.172 . . . . 0.0 110.057 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.38 152.39 77.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.654 2.236 . . . . 0.0 111.152 171.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.7 -0.92 3.24 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.369 0.668 . . . . 0.0 112.606 172.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.93 -22.21 66.48 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.277 1.031 . . . . 0.0 111.23 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.52 146.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.305 1.042 . . . . 0.0 110.517 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.34 156.99 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.577 0.351 . . . . 0.0 111.28 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.36 132.71 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 123.264 0.626 . . . . 0.0 109.666 172.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.17 165.16 36.75 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.145 0.578 . . . . 0.0 112.427 -173.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -69.63 155.14 40.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 166.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -60.11 -35.13 74.55 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.484 0.584 . . . . 0.0 111.599 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.22 -16.93 61.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.32 -35.15 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.886 0.874 . . . . 0.0 110.848 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -52.79 -35.27 56.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.68 1.192 . . . . 0.0 112.28 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.34 -27.46 65.94 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.8 0.84 . . . . 0.0 112.402 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -69.96 -40.32 75.48 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.584 0.753 . . . . 0.0 111.79 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.41 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.547 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -122.74 110.34 15.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.583 1.953 . . . . 0.0 106.986 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.56 142.93 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.597 1.159 . . . . 0.0 109.749 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.4 136.78 18.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.9 1.28 . . . . 0.0 109.849 -168.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.4 p -97.48 133.98 41.33 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.425 0.557 . . . . 0.0 109.727 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -126.26 154.28 43.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 167.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.2 154.96 18.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.404 171.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.14 125.95 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.158 0.504 . . . . 0.0 111.053 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.67 -5.5 67.0 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.132 0.872 . . . . 0.0 113.908 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.21 170.46 10.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.65 1.225 . . . . 0.0 111.808 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -132.11 158.77 40.75 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.12 158.1 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 128.045 2.538 . . . . 0.0 107.899 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -131.92 153.0 50.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.051 -1.031 . . . . 0.0 111.329 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -134.18 135.98 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.94 1.296 . . . . 0.0 109.323 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -136.61 49.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.14 9.62 8.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.086 0.954 . . . . 0.0 111.762 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.05 -12.18 1.94 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -171.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.73 132.8 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 118.906 0.775 . . . . 0.0 110.524 -171.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -119.26 148.96 42.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.149 0.98 . . . . 0.0 110.062 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -130.49 142.64 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.727 1.611 . . . . 0.0 107.973 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 56.9 m -138.45 130.48 28.36 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 22' ' ' ILE . . . . . 0.435 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.25 106.29 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 172.572 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.91 -35.54 57.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.728 -0.608 . . . . 0.0 111.007 -168.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.22 -173.83 44.82 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.268 0.461 . . . . 0.0 112.311 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.99 158.92 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.16 0.584 . . . . 0.0 110.761 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -143.24 75.12 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.763 0.825 . . . . 0.0 108.999 172.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.94 -113.14 3.65 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.82 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.31 -6.31 57.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.73 0.812 . . . . 0.0 110.585 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -85.26 158.56 20.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.935 0.874 . . . . 0.0 113.118 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.435 HG13 HD11 ' D' ' 22' ' ' ILE . 18.9 t -128.91 123.58 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.869 167.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -92.36 116.94 29.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -125.99 131.98 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.249 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.3 134.6 11.82 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 124.047 0.832 . . . . 0.0 111.092 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.04 140.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.36 1.064 . . . . 0.0 108.826 173.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -138.08 90.01 2.44 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.614 0.765 . . . . 0.0 109.708 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.61 158.63 46.72 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.602 1.161 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.55 150.91 87.31 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.047 1.831 . . . . 0.0 110.619 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -67.63 -0.97 4.41 Favored 'General case' 0 CA--C 1.526 0.03 0 C-N-CA 123.33 0.652 . . . . 0.0 112.719 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -69.76 -18.96 63.53 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.91 1.284 . . . . 0.0 112.0 168.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.59 160.11 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.158 0.983 . . . . 0.0 110.83 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.17 157.02 16.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.536 0.734 . . . . 0.0 112.596 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.09 127.44 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -152.5 173.38 15.21 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 123.521 0.729 . . . . 0.0 112.4 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 44' ' ' ARG . . . . . 0.517 ' HA ' HD13 ' C' ' 12' ' ' ILE . 9.5 mtp-105 -71.78 163.94 26.89 Favored 'General case' 0 C--O 1.227 -0.115 0 O-C-N 122.091 -0.381 . . . . 0.0 110.341 168.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.59 -40.0 93.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.028 0.531 . . . . 0.0 111.774 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.32 -26.36 67.27 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.41 -44.81 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.6 0.76 . . . . 0.0 109.945 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -48.83 -34.91 13.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.469 1.908 . . . . 0.0 113.002 -176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.92 -21.02 66.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.739 0.816 . . . . 0.0 113.004 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -46.2 14.01 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.958 0.903 . . . . 0.0 109.453 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.727 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.454 -0.232 0 C-N-CA 126.108 1.763 . . . . 0.0 111.24 173.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.458 0.17 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.2 135.69 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.041 0.936 . . . . 0.0 109.408 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -132.04 164.53 26.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.564 1.546 . . . . 0.0 110.553 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.84 100.79 4.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 167.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -113.26 141.3 47.15 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.531 1.132 . . . . 0.0 110.272 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -97.61 168.16 10.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.54 135.13 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.321 -169.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -4.06 82.11 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.129 0.871 . . . . 0.0 114.219 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -92.03 164.02 13.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.779 1.29 . . . . 0.0 111.495 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -130.39 158.63 39.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -169.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' E' ' 6' ' ' ARG . 25.0 mt -142.08 156.33 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.264 1.826 . . . . 0.0 108.076 -174.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.23 148.24 47.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.557 -0.714 . . . . 0.0 112.789 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -137.16 137.76 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.693 1.197 . . . . 0.0 109.026 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -136.85 50.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.22 9.99 6.79 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.919 0.888 . . . . 0.0 112.477 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.54 -12.17 4.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.48 135.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 119.204 0.911 . . . . 0.0 111.121 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -128.12 143.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.555 1.142 . . . . 0.0 109.962 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.29 143.31 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.34 1.456 . . . . 0.0 108.239 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -138.26 129.32 27.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.932 0.493 . . . . 0.0 110.074 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -77.44 109.76 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 169.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.99 -27.21 39.65 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.988 -0.445 . . . . 0.0 111.075 -175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -174.27 33.42 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.454 0.549 . . . . 0.0 113.296 169.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.44 157.79 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.582 0.753 . . . . 0.0 111.928 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -149.61 89.94 1.67 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.764 1.225 . . . . 0.0 109.28 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.24 -116.06 5.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -173.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.64 -20.69 22.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.409 0.605 . . . . 0.0 111.556 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -74.56 141.81 44.74 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.215 0.531 . . . . 0.0 110.065 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.13 117.63 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -85.25 127.24 34.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.8 135.46 55.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.216 -168.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 140.03 15.22 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 124.504 1.05 . . . . 0.0 111.334 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.96 124.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.59 1.156 . . . . 0.0 109.162 -177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -124.68 98.97 5.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.5 155.31 75.46 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.585 1.154 . . . . 0.0 110.309 177.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.31 159.82 37.9 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.974 2.449 . . . . 0.0 112.153 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -73.45 -0.88 16.22 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.54 -20.66 66.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.084 0.954 . . . . 0.0 111.506 168.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -126.12 160.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.264 1.026 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 159.18 15.07 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 129.13 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.234 0.614 . . . . 0.0 110.373 169.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -151.3 169.45 21.92 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.204 1.002 . . . . 0.0 110.978 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -77.61 166.65 22.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.77 -0.581 . . . . 0.0 109.637 168.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -30.22 61.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.08 -33.9 76.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.016 0.927 . . . . 0.0 111.417 -175.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.91 -38.55 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.727 0.811 . . . . 0.0 109.102 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.557 0.743 . . . . 0.0 112.725 -178.624 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.1 149.27 21.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.125 -0.36 . . . . 0.0 111.437 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.21 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 124.088 0.955 . . . . 0.0 108.703 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -131.88 162.24 31.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.749 1.219 . . . . 0.0 109.778 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.37 97.05 4.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 168.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.451 ' HG3' HD11 ' F' ' 12' ' ' ILE . 5.2 mmp_? -110.94 142.19 43.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.481 1.112 . . . . 0.0 110.316 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -96.37 168.67 10.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.32 137.6 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.374 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -4.89 82.13 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.086 0.85 . . . . 0.0 114.106 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.5 171.56 8.83 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.744 1.272 . . . . 0.0 111.919 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 24.7 m -135.25 158.46 44.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.606 0.717 . . . . 0.0 112.362 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.451 HD11 ' HG3' ' F' ' 6' ' ' ARG . 21.6 mt -143.2 153.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.241 1.417 . . . . 0.0 107.965 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -135.02 153.06 52.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.771 0.796 . . . . 0.0 112.246 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.32 139.69 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.347 1.459 . . . . 0.0 109.667 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.07 -138.19 47.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -121.52 9.59 10.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.086 0.954 . . . . 0.0 111.776 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.07 -13.9 0.91 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.24 133.84 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 119.124 0.875 . . . . 0.0 110.679 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -129.2 144.31 51.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.009 0.924 . . . . 0.0 110.568 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -124.75 142.19 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.36 1.864 . . . . 0.0 108.272 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.63 129.04 32.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 109.885 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.8 109.36 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -82.13 -27.45 32.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.56 0.744 . . . . 0.0 110.987 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.48 -173.16 34.29 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.282 0.468 . . . . 0.0 113.363 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.69 158.95 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.418 0.687 . . . . 0.0 112.153 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -149.8 91.8 1.84 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.837 1.255 . . . . 0.0 109.122 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.72 -103.06 1.28 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.842 -0.536 . . . . 0.0 111.933 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.46 -19.7 15.44 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 117.448 0.624 . . . . 0.0 112.196 170.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.5 140.62 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t -130.49 115.31 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -87.19 127.17 35.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.541 0.736 . . . . 0.0 109.149 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.43 141.42 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 124.047 0.939 . . . . 0.0 110.445 -167.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.23 140.43 16.33 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.059 0.838 . . . . 0.0 111.075 171.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -129.35 136.7 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.186 0.994 . . . . 0.0 109.43 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -130.43 109.65 10.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.909 0.884 . . . . 0.0 109.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.62 157.79 76.51 Favored Pre-proline 0 N--CA 1.454 -0.252 0 C-N-CA 123.779 0.831 . . . . 0.0 111.027 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.74 159.84 43.42 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.814 2.343 . . . . 0.0 112.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.35 -11.72 35.21 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 172.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.91 -15.65 61.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.961 1.304 . . . . 0.0 112.594 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.74 165.28 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.762 0.825 . . . . 0.0 111.156 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 159.78 14.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.113 0.565 . . . . 0.0 111.607 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.0 122.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.475 0.71 . . . . 0.0 110.059 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -153.61 174.19 14.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.106 0.962 . . . . 0.0 110.188 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.1 162.49 25.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.889 -0.507 . . . . 0.0 110.127 168.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.32 -25.2 67.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.99 0.516 . . . . 0.0 112.279 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -58.51 -43.61 89.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.976 0.911 . . . . 0.0 111.775 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.11 -29.93 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.486 0.714 . . . . 0.0 109.616 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 C-N-CA 124.022 0.929 . . . . 0.0 112.649 175.373 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.774 -0.631 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 112.62 25.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.948 0.794 . . . . 0.0 109.618 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.21 138.63 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.801 0.84 . . . . 0.0 109.459 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -135.05 154.7 51.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.989 0.916 . . . . 0.0 109.922 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.0 m -117.91 101.44 8.29 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.479 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.489 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -107.29 139.07 42.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.068 0.947 . . . . 0.0 110.927 -168.523 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -103.73 156.33 17.89 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.149 0.431 . . . . 0.0 110.608 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.05 124.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.571 0.748 . . . . 0.0 110.917 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.87 -5.18 72.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.214 0.911 . . . . 0.0 114.447 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.39 166.9 11.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.643 1.221 . . . . 0.0 111.301 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -137.2 148.99 46.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -168.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.489 HD11 ' HD2' ' A' ' 6' ' ' ARG . 31.8 mm -109.5 155.46 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.7 1.6 . . . . 0.0 109.652 169.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -127.43 138.33 52.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.656 1.182 . . . . 0.0 109.879 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mt -134.11 131.54 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.159 0.983 . . . . 0.0 109.474 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.64 -128.96 30.21 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -127.1 -0.27 6.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.911 0.885 . . . . 0.0 112.364 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -135.7 -17.76 1.69 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 139.03 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.697 0.68 . . . . 0.0 110.282 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 m -134.64 143.79 47.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.7 0.8 . . . . 0.0 109.185 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -125.8 138.8 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 108.204 -176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.6 m -134.12 132.89 40.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.293 0.497 . . . . 0.0 110.028 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -82.03 101.19 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 169.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.33 -30.29 63.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.104 -0.373 . . . . 0.0 110.17 -174.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.03 -176.78 43.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 113.73 0.252 . . . . 0.0 113.73 168.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.93 144.4 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.056 0.942 . . . . 0.0 111.044 -172.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -138.39 68.71 1.39 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.798 1.239 . . . . 0.0 109.898 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -118.05 6.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.85 -12.38 59.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.464 0.706 . . . . 0.0 112.149 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -105.55 149.79 25.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.822 0.82 . . . . 0.0 112.377 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.4 130.41 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 126.75 2.02 . . . . 0.0 108.202 -169.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -109.02 101.95 10.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.149 0.5 . . . . 0.0 110.702 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.66 135.38 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.429 1.491 . . . . 0.0 109.523 -172.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.33 137.91 14.23 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.772 0.701 . . . . 0.0 111.557 170.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.05 132.53 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.131 1.372 . . . . 0.0 108.377 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -118.9 76.89 1.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.697 1.199 . . . . 0.0 109.267 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 152.73 45.89 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.786 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.68 154.4 54.42 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.486 2.124 . . . . 0.0 110.474 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -68.01 -5.39 17.09 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.37 -25.59 65.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 0.0 112.274 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -115.18 144.0 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 121.899 0.857 . . . . 0.0 111.809 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.75 143.09 40.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.356 1.062 . . . . 0.0 111.503 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.26 120.35 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.525 0.73 . . . . 0.0 109.329 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -144.92 -175.96 4.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.293 1.037 . . . . 0.0 110.067 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 164.05 27.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.39 -34.26 68.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.41 1.484 . . . . 0.0 113.672 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -61.14 -19.91 62.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 112.296 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -122.3 -24.97 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 125.612 1.565 . . . . 0.0 110.792 -173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 121.367 -0.833 . . . . 0.0 110.479 -176.567 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.5 tpp . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -112.69 121.42 44.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.05 140.13 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -165.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -135.26 135.09 40.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.64 1.176 . . . . 0.0 110.818 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -102.43 105.37 15.94 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' B' ' 12' ' ' ILE . 8.5 mmp_? -121.86 145.16 48.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.556 1.142 . . . . 0.0 111.274 -168.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -91.18 159.47 16.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.437 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.94 130.01 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.197 0.522 . . . . 0.0 110.551 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.99 -5.67 72.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.974 -0.903 . . . . 0.0 114.63 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -87.26 161.65 17.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.208 1.504 . . . . 0.0 111.705 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -128.07 153.2 47.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.739 0.816 . . . . 0.0 111.987 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' B' ' 6' ' ' ARG . 11.7 mt -132.76 155.16 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.167 1.387 . . . . 0.0 109.227 -175.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -135.09 130.16 35.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.066 0.546 . . . . 0.0 110.893 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.66 135.63 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 117.071 -1.443 . . . . 0.0 107.373 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 26.4 118.32 0.0 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 115.842 -2.644 . . . . 0.0 110.029 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.46 4.95 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 120.846 3.647 . . . . 0.0 120.846 -155.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.5 m-20 -86.63 -23.74 25.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.911 1.284 . . . . 0.0 112.175 163.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.78 141.13 27.01 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 121.405 1.911 . . . . 0.0 112.822 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.7 m -134.75 150.53 50.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.254 1.422 . . . . 0.0 109.458 168.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -127.79 148.48 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.506 1.522 . . . . 0.0 108.321 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -141.01 125.8 18.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.768 0.427 . . . . 0.0 110.557 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.42 113.42 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.68 -32.02 28.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.883 -0.511 . . . . 0.0 110.167 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.22 178.68 38.59 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 113.445 0.138 . . . . 0.0 113.445 170.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.3 152.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.202 0.601 . . . . 0.0 110.952 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -134.98 76.93 1.65 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.558 1.143 . . . . 0.0 108.542 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.9 -119.39 5.05 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -98.92 9.69 42.96 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.953 0.501 . . . . 0.0 110.704 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.96 151.37 20.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.334 1.054 . . . . 0.0 110.034 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 t -139.76 112.06 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.603 0.761 . . . . 0.0 109.147 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -90.99 113.22 25.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.135 1.374 . . . . 0.0 109.233 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.36 134.51 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.793 1.237 . . . . 0.0 110.479 -168.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.73 140.5 15.07 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.418 0.532 . . . . 0.0 111.804 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.401 HG21 HG11 ' B' ' 42' ' ' VAL . 44.1 mt -119.21 131.06 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.888 0.875 . . . . 0.0 109.25 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -130.72 74.98 1.63 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.166 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 156.32 51.98 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.043 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -56.95 153.59 37.17 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.517 1.478 . . . . 0.0 110.205 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -66.01 -0.72 2.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.272 0.629 . . . . 0.0 111.911 170.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.94 -31.08 71.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.994 1.717 . . . . 0.0 111.981 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.37 144.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.408 1.083 . . . . 0.0 110.326 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.44 141.92 30.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.635 0.731 . . . . 0.0 111.786 169.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.401 HG11 HG21 ' B' ' 34' ' ' ILE . 18.1 t -144.62 98.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.665 -166.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.45 159.35 43.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.826 -0.546 . . . . 0.0 111.754 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.5 ptt-85 -65.11 157.37 28.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.702 0.401 . . . . 0.0 111.212 169.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.62 -39.66 74.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.04 -5.92 24.88 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mm -101.44 -51.44 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.036 0.934 . . . . 0.0 109.812 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -50.84 -36.92 40.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.912 1.285 . . . . 0.0 112.198 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.42 -22.19 62.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -174.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -78.12 -42.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.91 0.777 . . . . 0.0 110.201 169.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.5 mt -63.96 -39.12 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.312 0.645 . . . . 0.0 109.262 -173.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -81.19 4.96 18.39 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.99 -19.85 43.12 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.177 0.591 . . . . 0.0 111.518 168.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.28 48.53 0.08 OUTLIER Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.987 169.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -176.39 2.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.732 0.766 . . . . 0.0 112.505 -168.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -128.05 -176.97 3.95 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.261 1.425 . . . . 0.0 109.577 168.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -40.96 123.38 1.97 Allowed Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.208 1.003 . . . . 0.0 111.536 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 58.7 Cg_exo -62.29 173.32 3.42 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.908 2.405 . . . . 0.0 114.33 -170.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.194 0.998 . . . . 0.0 112.181 176.619 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.358 -0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 112.21 25.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 168.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.03 135.04 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.857 0.863 . . . . 0.0 110.029 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.57 134.86 48.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.154 0.982 . . . . 0.0 109.803 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -88.79 139.71 30.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.491 HH21 ' HB ' ' C' ' 22' ' ' ILE . 6.1 mtm180 -131.22 164.01 26.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.348 0.659 . . . . 0.0 109.418 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 10.1 tptm -114.85 153.19 30.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.56 132.25 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-N 119.52 1.055 . . . . 0.0 111.893 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.55 -4.4 72.88 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.967 1.27 . . . . 0.0 114.651 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.38 173.21 12.58 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.791 1.795 . . . . 0.0 113.295 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -143.95 155.54 44.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.212 1.405 . . . . 0.0 111.032 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' D' ' 44' ' ' ARG . 39.7 mm -142.11 149.78 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 126.344 1.858 . . . . 0.0 108.41 -171.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.36 140.57 49.01 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.596 0.758 . . . . 0.0 110.855 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -126.65 130.0 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 108.295 170.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.06 -135.15 52.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -168.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -123.94 10.0 8.82 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.853 0.861 . . . . 0.0 111.145 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -123.75 -16.87 6.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.232 1.013 . . . . 0.0 112.98 -169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.7 137.84 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.442 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -125.43 138.68 54.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.588 1.155 . . . . 0.0 109.506 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mm -120.02 142.0 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.121 0.968 . . . . 0.0 108.848 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -135.7 137.62 41.95 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.286 0.635 . . . . 0.0 110.505 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.491 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.3 tp -95.61 122.11 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -95.06 -37.41 11.11 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -177.27 43.65 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.004 -0.617 . . . . 0.0 114.291 168.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.53 148.36 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.574 0.75 . . . . 0.0 110.379 170.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.6 m -146.32 109.91 4.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.852 1.261 . . . . 0.0 107.939 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.65 -141.89 29.17 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.239 -169.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -86.96 6.03 34.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.796 0.838 . . . . 0.0 110.846 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.07 145.5 25.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.771 1.628 . . . . 0.0 111.105 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.47 126.02 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.877 0.871 . . . . 0.0 108.707 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -87.11 114.24 23.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -118.29 134.01 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 125.352 1.461 . . . . 0.0 108.845 -173.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.91 143.38 15.79 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.107 0.861 . . . . 0.0 111.836 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -131.25 122.15 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.747 1.219 . . . . 0.0 108.585 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -124.49 95.99 4.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.108 0.563 . . . . 0.0 110.18 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.83 158.15 76.13 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.467 1.107 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -62.19 152.54 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.625 2.217 . . . . 0.0 111.227 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.76 -0.87 2.39 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.482 0.713 . . . . 0.0 112.645 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.98 -22.31 66.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.276 1.031 . . . . 0.0 111.463 169.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.61 146.09 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.112 0.965 . . . . 0.0 110.522 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.13 155.48 23.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 122.695 0.398 . . . . 0.0 111.155 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.05 132.17 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -153.87 164.24 38.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.487 0.715 . . . . 0.0 111.261 -176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.662 HH21 HD22 ' D' ' 4' ' ' LEU . 7.7 ptp85 -81.9 158.57 23.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 166.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -60.12 -35.74 75.93 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -169.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.43 -14.47 61.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mm -97.34 -36.81 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.491 0.716 . . . . 0.0 110.634 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -51.29 -36.68 43.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.539 1.136 . . . . 0.0 112.655 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.4 -30.89 67.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 112.358 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -68.03 -36.76 80.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.572 0.749 . . . . 0.0 111.899 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.418 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.453 -0.278 0 O-C-N 121.975 -0.453 . . . . 0.0 109.886 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.461 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.14 117.99 31.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.445 1.898 . . . . 0.0 108.955 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.461 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -111.22 138.89 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.142 1.377 . . . . 0.0 109.892 -169.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 4' ' ' LEU . . . . . 0.662 HD22 HH21 ' C' ' 44' ' ' ARG . 64.7 mt -136.69 159.23 42.46 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.502 1.521 . . . . 0.0 111.758 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.76 111.19 18.77 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 166.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.91 148.05 42.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.975 0.51 . . . . 0.0 110.277 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.86 159.54 23.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.158 0.583 . . . . 0.0 110.285 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -55.76 134.37 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.877 0.471 . . . . 0.0 111.205 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -1.57 78.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.097 0.856 . . . . 0.0 114.299 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.97 171.92 8.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.817 1.309 . . . . 0.0 112.01 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -129.5 156.04 44.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.0 160.24 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 127.458 2.303 . . . . 0.0 108.6 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -139.87 151.19 45.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.919 0.887 . . . . 0.0 112.786 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.31 139.13 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.096 1.358 . . . . 0.0 109.1 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.67 -139.12 48.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.52 8.71 10.75 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.837 0.855 . . . . 0.0 111.721 170.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -131.66 -12.53 3.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.25 138.27 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 118.723 0.692 . . . . 0.0 110.728 -172.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -122.46 145.96 47.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.441 1.096 . . . . 0.0 109.669 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -128.49 138.83 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.327 1.451 . . . . 0.0 107.862 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -134.69 128.99 34.08 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -85.76 110.46 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -84.8 -28.42 26.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.343 0.657 . . . . 0.0 110.713 -171.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -172.66 38.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.416 0.531 . . . . 0.0 112.826 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.99 160.71 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.627 0.771 . . . . 0.0 111.328 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -143.63 75.77 1.49 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.946 0.899 . . . . 0.0 110.191 171.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -115.22 4.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.459 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mp0 -91.63 -4.45 55.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.269 0.628 . . . . 0.0 110.091 170.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -77.2 156.52 31.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.427 0.632 . . . . 0.0 112.581 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.51 123.39 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.077 1.351 . . . . 0.0 107.566 169.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.91 119.94 34.29 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.453 1.101 . . . . 0.0 108.452 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.51 131.57 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 111.259 -167.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.94 142.15 16.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.389 0.995 . . . . 0.0 111.367 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.74 138.57 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -138.06 89.94 2.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.83 155.18 63.9 Favored Pre-proline 0 N--CA 1.45 -0.446 0 C-N-CA 124.768 1.227 . . . . 0.0 109.645 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.31 150.12 86.28 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.052 1.835 . . . . 0.0 110.535 169.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.45 -0.97 5.58 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 175.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.59 -23.07 66.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.848 1.259 . . . . 0.0 111.576 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.43 157.65 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.164 0.986 . . . . 0.0 110.531 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.72 157.01 16.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.76 123.12 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.879 0.471 . . . . 0.0 109.921 168.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -147.54 163.01 37.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.673 0.789 . . . . 0.0 111.212 174.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' C' ' 12' ' ' ILE . 51.8 mtp85 -60.46 157.22 14.46 Favored 'General case' 0 C--O 1.227 -0.131 0 O-C-N 121.923 -0.485 . . . . 0.0 110.178 169.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.46 -33.62 68.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.077 0.399 . . . . 0.0 110.98 169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -57.79 -54.51 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.128 1.371 . . . . 0.0 111.806 171.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.23 -39.39 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.901 0.88 . . . . 0.0 110.312 -174.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -53.08 -39.21 63.17 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.351 1.46 . . . . 0.0 112.116 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.77 -25.45 64.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.44 1.096 . . . . 0.0 112.656 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.18 -41.92 63.31 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.169 0.587 . . . . 0.0 110.471 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.552 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.456 -0.167 0 C-N-CA 125.379 1.472 . . . . 0.0 109.76 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.45 136.08 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.818 0.847 . . . . 0.0 109.762 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.25 165.01 22.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.548 1.539 . . . . 0.0 111.138 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 103.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 167.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -113.21 128.01 56.35 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.313 1.445 . . . . 0.0 109.894 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -87.15 164.82 16.17 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 119.402 1.001 . . . . 0.0 112.748 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -58.75 138.53 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.16 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.98 82.96 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 118.985 -0.897 . . . . 0.0 113.922 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -94.48 177.0 6.08 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.927 1.364 . . . . 0.0 112.109 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.3 m -134.28 158.47 43.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -169.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -139.96 158.3 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 126.99 2.116 . . . . 0.0 108.203 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -135.29 149.84 49.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -136.46 137.42 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.812 1.245 . . . . 0.0 108.947 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -138.28 49.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.51 5.2 10.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 111.744 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.4 -6.24 2.59 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.15 135.7 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.96 0.8 . . . . 0.0 110.762 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -126.86 140.77 52.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.442 1.097 . . . . 0.0 109.663 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -120.49 138.08 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.945 1.298 . . . . 0.0 108.328 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -133.27 125.09 28.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.113 0.565 . . . . 0.0 109.814 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.87 103.12 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.34 -29.92 60.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.032 -0.418 . . . . 0.0 111.018 -173.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.81 -174.93 34.47 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 123.049 0.357 . . . . 0.0 113.911 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.76 159.56 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.141 0.976 . . . . 0.0 111.926 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.94 89.96 1.65 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.699 1.199 . . . . 0.0 109.356 169.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.45 -102.96 1.34 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.754 -0.591 . . . . 0.0 111.884 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -100.04 -21.47 15.6 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 117.731 0.766 . . . . 0.0 111.71 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -70.29 144.25 51.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.52 116.01 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -89.37 125.16 35.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.462 HD12 HH11 ' F' ' 6' ' ' ARG . 1.4 mt -135.87 131.62 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.029 0.532 . . . . 0.0 110.493 -168.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.79 141.71 15.77 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 124.394 0.997 . . . . 0.0 111.473 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -133.19 121.01 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 108.749 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -120.76 99.3 6.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.24 0.616 . . . . 0.0 109.39 -172.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.72 155.17 75.16 Favored Pre-proline 0 N--CA 1.451 -0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 110.641 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.38 158.98 42.11 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.998 2.465 . . . . 0.0 112.183 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -72.46 -1.06 14.31 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 171.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.54 -21.79 66.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.235 1.014 . . . . 0.0 111.455 168.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -124.38 159.24 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.55 158.64 15.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.144 177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.05 125.34 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 122.977 0.511 . . . . 0.0 110.197 168.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -151.09 169.81 20.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.117 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -69.0 154.93 41.23 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -61.25 -26.72 67.95 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.85 -49.16 74.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.544 1.138 . . . . 0.0 111.548 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.74 -34.53 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.192 0.997 . . . . 0.0 110.141 -171.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 124.562 1.145 . . . . 0.0 112.441 178.696 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 2' ' ' LEU . . . . . 0.404 HD12 HG13 ' E' ' 42' ' ' VAL . 7.7 mt -94.52 149.06 21.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.916 -0.49 . . . . 0.0 111.641 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.73 134.42 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 168.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -129.05 160.43 32.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.895 1.278 . . . . 0.0 109.507 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.15 97.76 4.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.462 HH11 HD12 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -118.6 160.99 20.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.099 0.56 . . . . 0.0 111.094 172.494 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -106.29 175.91 5.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.347 0.659 . . . . 0.0 111.572 -170.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.97 137.5 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.122 0.487 . . . . 0.0 112.221 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.56 83.91 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.145 0.879 . . . . 0.0 115.086 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -83.74 170.26 14.38 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.091 1.445 . . . . 0.0 112.122 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -133.66 153.35 51.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.495 0.718 . . . . 0.0 112.627 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -136.05 157.2 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 126.622 1.969 . . . . 0.0 107.612 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -131.04 150.31 52.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.482 0.713 . . . . 0.0 112.07 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.74 142.67 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.777 1.231 . . . . 0.0 109.021 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.84 -139.42 48.6 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -120.57 10.07 11.0 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.278 1.031 . . . . 0.0 112.458 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.15 -22.36 1.17 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.0 138.44 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.52 1.054 . . . . 0.0 111.059 -169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -127.6 144.33 51.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 110.653 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -125.84 130.96 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.412 1.485 . . . . 0.0 108.665 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -130.23 129.71 43.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.485 0.714 . . . . 0.0 110.209 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -87.27 113.0 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.59 -32.06 32.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.741 0.416 . . . . 0.0 110.385 -176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.12 -175.31 34.61 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.193 0.425 . . . . 0.0 113.544 168.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.12 153.88 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.02 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -142.35 90.02 2.21 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.124 1.37 . . . . 0.0 109.012 169.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -102.98 1.14 Allowed Glycine 0 CA--C 1.525 0.686 0 O-C-N 121.845 -0.534 . . . . 0.0 111.93 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.91 -22.41 16.34 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.645 0.723 . . . . 0.0 111.963 170.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -71.82 141.07 49.65 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.071 0.463 . . . . 0.0 110.087 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -131.21 113.75 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -87.02 123.85 32.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.77 135.41 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.868 0.867 . . . . 0.0 109.994 -168.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.12 137.38 13.66 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.975 0.797 . . . . 0.0 111.122 170.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -124.93 138.22 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 109.098 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -132.7 106.06 7.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.392 0.677 . . . . 0.0 109.653 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.81 158.05 73.57 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.33 162.32 36.8 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.017 2.478 . . . . 0.0 112.19 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.88 -12.46 60.7 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.589 0.756 . . . . 0.0 112.759 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -65.19 -20.5 66.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.929 1.292 . . . . 0.0 112.602 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -127.75 163.06 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.761 0.824 . . . . 0.0 111.108 -176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.83 162.07 13.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.358 0.663 . . . . 0.0 111.279 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 127.73 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.472 0.709 . . . . 0.0 109.864 171.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -154.97 171.3 19.94 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 109.961 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 161.67 27.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.75 -0.594 . . . . 0.0 109.921 168.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.47 -25.77 68.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -42.5 79.68 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 0.0 111.734 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -89.97 -31.26 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.985 0.914 . . . . 0.0 109.967 -173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 123.744 0.818 . . . . 0.0 112.775 179.313 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 ttp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 111.6 23.53 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.607 0.639 . . . . 0.0 109.534 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.65 134.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.367 0.667 . . . . 0.0 109.222 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.4 mt -133.73 153.61 51.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.45 1.1 . . . . 0.0 109.536 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -119.4 100.89 7.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -96.01 166.15 11.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.075 0.55 . . . . 0.0 110.379 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 159.06 35.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.138 0.575 . . . . 0.0 109.464 169.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -46.33 120.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.414 0.686 . . . . 0.0 111.036 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -14.51 57.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.722 1.153 . . . . 0.0 114.183 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.72 165.46 18.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.333 1.567 . . . . 0.0 112.399 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.7 m -135.7 152.83 51.56 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.0 mm -114.74 155.3 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 125.73 1.612 . . . . 0.0 109.611 169.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.59 137.91 53.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.707 1.203 . . . . 0.0 109.963 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.78 125.97 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.117 0.967 . . . . 0.0 109.336 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.62 -128.94 35.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -129.53 5.0 5.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.848 0.859 . . . . 0.0 112.976 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -121.91 -28.98 4.36 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.38 134.7 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.817 0.735 . . . . 0.0 110.508 -170.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -129.49 141.53 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.762 0.825 . . . . 0.0 109.903 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -123.4 141.55 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.957 1.303 . . . . 0.0 108.279 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -137.46 136.68 37.99 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.22 100.8 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -26.33 58.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.792 -0.568 . . . . 0.0 111.248 -168.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.64 43.73 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 118.106 0.412 . . . . 0.0 113.646 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.76 151.07 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.801 0.84 . . . . 0.0 111.368 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -139.56 63.12 1.5 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.352 1.061 . . . . 0.0 110.096 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.17 -120.73 5.51 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' B' ' 7' ' ' LYS . 33.0 tt0 -82.12 -11.37 58.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.188 0.595 . . . . 0.0 112.299 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -101.21 149.12 24.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.896 0.855 . . . . 0.0 113.233 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.14 128.03 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 126.625 1.97 . . . . 0.0 108.411 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -94.72 101.93 13.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.155 0.982 . . . . 0.0 109.416 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -108.02 136.74 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.097 0.959 . . . . 0.0 109.475 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.53 138.01 14.55 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.039 0.828 . . . . 0.0 111.677 170.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.42 135.21 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.034 1.334 . . . . 0.0 108.598 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -126.54 75.04 1.51 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 122.131 0.967 . . . . 0.0 109.675 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.34 154.15 38.53 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.154 -1.384 . . . . 0.0 110.765 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.06 154.91 52.72 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.665 2.243 . . . . 0.0 110.439 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -68.82 -3.91 14.22 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.34 -25.45 65.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.871 0.868 . . . . 0.0 111.952 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -116.37 144.08 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.828 0.823 . . . . 0.0 111.587 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.09 143.03 34.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.925 0.89 . . . . 0.0 110.748 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.97 126.21 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 170.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -150.99 157.16 42.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.684 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' B' ' 12' ' ' ILE . 12.6 ptp180 -74.14 162.53 28.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.598 0.359 . . . . 0.0 111.517 169.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -73.27 -25.52 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 O-C-N 122.006 -0.434 . . . . 0.0 112.057 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.8 -19.97 64.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.837 1.255 . . . . 0.0 112.751 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -120.58 -26.33 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.386 1.074 . . . . 0.0 110.968 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.26 -32.04 71.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.25 -0.906 . . . . 0.0 110.792 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -75.96 -17.49 59.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.732 0.813 . . . . 0.0 111.787 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.42 -35.07 31.11 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.185 0.994 . . . . 0.0 111.19 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.31 -51.76 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.724 0.81 . . . . 0.0 109.532 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -81.3 5.16 18.08 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.575 0.75 . . . . 0.0 112.25 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.99 70.79 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 25.3 0.22 Allowed Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.484 -0.62 . . . . 0.0 113.532 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -123.1 -178.17 3.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.982 1.313 . . . . 0.0 109.655 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 p 64.1 167.59 0.16 Allowed 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 126.031 1.732 . . . . 0.0 112.861 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.01 152.68 47.93 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 111.341 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.12 164.58 32.85 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.455 2.77 . . . . 0.0 112.241 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.45 -0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 111.54 -175.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -129.16 115.24 17.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.461 1.505 . . . . 0.0 108.213 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.06 138.55 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.86 0.864 . . . . 0.0 111.389 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -141.72 146.13 35.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.831 1.253 . . . . 0.0 111.066 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -91.51 129.18 37.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 166.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.427 ' HD2' HD11 ' B' ' 12' ' ' ILE . 11.5 mmp_? -122.85 127.67 49.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.396 0.679 . . . . 0.0 110.029 170.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 28' ' ' GLN . 26.8 mttt -77.33 153.45 33.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.97 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 28.1 m -57.26 129.84 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.491 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.57 -8.92 64.31 Favored Glycine 0 CA--C 1.527 0.781 0 CA-C-O 119.057 -0.857 . . . . 0.0 114.868 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -88.48 165.2 15.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.126 1.463 . . . . 0.0 111.771 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.38 156.95 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 44' ' ' ARG . 34.5 mm -135.81 152.21 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 127.157 2.183 . . . . 0.0 108.514 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.39 141.93 49.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.529 1.132 . . . . 0.0 110.64 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.29 128.67 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.132 0.973 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.99 -134.05 52.5 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.74 4.98 6.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.744 0.818 . . . . 0.0 112.731 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -114.73 -21.34 10.24 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.62 136.22 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.94 0.791 . . . . 0.0 111.146 -169.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -131.27 147.9 52.63 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.656 1.182 . . . . 0.0 110.012 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.4 mm -129.19 141.61 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.918 1.687 . . . . 0.0 108.031 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -138.61 128.68 25.47 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.846 0.459 . . . . 0.0 110.241 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.27 113.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -81.47 -32.26 32.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.943 -0.473 . . . . 0.0 111.052 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.12 -178.7 36.96 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 113.345 0.098 . . . . 0.0 113.345 170.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -113.56 155.2 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.235 0.614 . . . . 0.0 111.004 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -139.18 81.0 1.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.941 0.897 . . . . 0.0 108.907 170.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.26 -116.52 4.22 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -102.89 12.62 35.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.594 0.757 . . . . 0.0 110.703 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.02 155.92 17.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.875 0.87 . . . . 0.0 110.669 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -144.1 112.18 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.588 1.155 . . . . 0.0 108.817 -169.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.12 119.31 28.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 0.0 109.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.27 133.19 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.208 1.003 . . . . 0.0 109.924 -169.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.12 138.29 13.85 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.52 133.59 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.748 0.819 . . . . 0.0 109.362 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -133.06 76.87 1.71 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.416 -168.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.18 157.33 64.56 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 113.915 -1.493 . . . . 0.0 109.766 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.32 156.82 38.64 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.135 1.89 . . . . 0.0 111.199 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -68.72 -0.82 5.77 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.825 0.85 . . . . 0.0 112.237 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.79 -26.76 67.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.151 1.38 . . . . 0.0 111.284 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.45 144.07 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.461 1.105 . . . . 0.0 110.169 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.22 142.05 28.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.542 0.687 . . . . 0.0 111.182 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.71 98.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.92 -166.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.75 158.55 43.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.968 -0.457 . . . . 0.0 112.07 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.4 ptt-85 -64.48 156.23 30.28 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.111 0.564 . . . . 0.0 111.209 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -54.94 -41.57 71.21 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.341 0.656 . . . . 0.0 112.684 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.64 -23.11 67.24 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.06 -50.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.113 0.565 . . . . 0.0 110.601 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -47.11 -42.48 19.23 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.54 0.736 . . . . 0.0 110.925 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.46 -12.0 60.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -169.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -88.82 -36.38 16.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 119.516 1.053 . . . . 0.0 112.129 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -64.12 -61.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.196 0.998 . . . . 0.0 112.654 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 2.49 3.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.73 -0.606 . . . . 0.0 112.568 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.34 -19.38 60.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.316 0.646 . . . . 0.0 112.008 170.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.24 34.8 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 CA-C-O 119.321 -0.71 . . . . 0.0 114.348 169.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -166.25 -175.93 3.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.158 0.979 . . . . 0.0 112.75 -167.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.668 HG22 ' H ' ' B' ' 57' ' ' ALA . 2.9 m -133.54 -176.8 4.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.604 1.162 . . . . 0.0 109.139 169.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.668 ' H ' HG22 ' B' ' 56' ' ' THR . . . -39.52 123.91 1.43 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.069 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -41.26 -44.15 5.52 Favored 'Trans proline' 0 N--CA 1.452 -0.932 1 C-N-CA 126.025 4.484 . . . . 0.0 117.858 -168.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -167.216 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 109.93 20.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 166.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.07 134.96 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.655 0.782 . . . . 0.0 109.796 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.54 134.89 50.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.074 0.95 . . . . 0.0 109.263 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -89.28 143.84 26.54 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 169.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -145.97 123.89 12.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -73.56 149.94 41.81 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -56.37 136.72 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 118.84 0.746 . . . . 0.0 111.444 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -6.73 82.67 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.519 1.057 . . . . 0.0 114.411 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -87.37 172.43 9.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.222 1.511 . . . . 0.0 111.898 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -129.06 159.64 35.3 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -168.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.23 159.65 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 127.482 2.313 . . . . 0.0 108.245 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -132.56 149.15 52.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.044 0.938 . . . . 0.0 112.17 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.53 136.67 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.703 1.201 . . . . 0.0 108.963 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.58 -139.85 44.36 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.656 0.646 . . . . 0.0 111.593 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -121.56 10.0 10.34 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.084 0.953 . . . . 0.0 112.095 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.55 -14.46 7.78 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.92 137.59 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.003 0.82 . . . . 0.0 111.465 -169.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -123.05 138.99 54.53 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.75 1.22 . . . . 0.0 109.336 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -118.11 139.55 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.803 1.241 . . . . 0.0 108.359 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -134.03 129.0 35.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.92 -0.488 . . . . 0.0 110.389 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 tp -83.35 120.91 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.33 -39.39 10.06 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -172.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.47 179.69 43.45 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.746 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.36 151.81 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.296 0.639 . . . . 0.0 110.21 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -149.36 96.99 2.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.83 -139.86 24.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -168.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.6 2.05 39.2 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.927 0.491 . . . . 0.0 111.319 167.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 148.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.209 1.004 . . . . 0.0 110.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.32 114.17 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -82.51 112.81 19.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.4 136.44 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.028 1.331 . . . . 0.0 109.61 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.61 138.62 14.5 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 124.344 0.973 . . . . 0.0 111.569 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -126.26 118.88 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 124.359 1.064 . . . . 0.0 108.688 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -119.16 97.78 5.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.984 0.514 . . . . 0.0 110.171 -173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.69 157.19 72.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.465 1.106 . . . . 0.0 110.123 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.32 151.09 84.58 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.669 2.246 . . . . 0.0 111.087 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.18 -0.94 2.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.414 0.685 . . . . 0.0 112.644 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.89 -22.78 66.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.348 1.059 . . . . 0.0 111.424 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.48 147.65 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.229 1.012 . . . . 0.0 110.49 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.6 156.84 19.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.638 0.375 . . . . 0.0 111.364 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 m -138.3 131.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.302 0.641 . . . . 0.0 109.68 171.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -157.0 160.66 39.23 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.026 0.531 . . . . 0.0 112.088 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -70.3 153.2 43.31 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.69 -31.91 72.89 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.997 0.817 . . . . 0.0 111.738 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.08 -22.32 63.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.06 -35.6 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.566 0.746 . . . . 0.0 110.451 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.77 -32.79 60.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.994 0.918 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.87 -25.3 68.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -69.45 -37.66 77.43 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.233 0.613 . . . . 0.0 111.311 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.456 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.4 mp -68.43 -19.0 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 O-C-N 122.11 -0.369 . . . . 0.0 110.045 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -94.2 -0.44 55.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.907 0.883 . . . . 0.0 112.94 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -4.81 59.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.676 0.791 . . . . 0.0 113.061 -174.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.89 -129.33 1.68 Allowed Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' C' ' 51' ' ' ILE . 18.8 mt 62.78 20.93 12.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.744 1.217 . . . . 0.0 113.313 169.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.5 p -77.27 -16.56 58.94 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.928 0.891 . . . . 0.0 112.277 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.73 139.0 34.06 Favored Pre-proline 0 N--CA 1.451 -0.388 0 C-N-CA 124.289 1.036 . . . . 0.0 110.035 169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -64.39 175.68 3.23 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.18 2.586 . . . . 0.0 113.004 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 123.888 0.875 . . . . 0.0 112.489 177.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.61 112.19 20.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.865 1.666 . . . . 0.0 107.863 168.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -100.2 140.93 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.621 1.168 . . . . 0.0 109.746 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -155.48 156.61 35.56 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.862 0.865 . . . . 0.0 110.984 172.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.3 145.57 24.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.437 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.2 OUTLIER -136.24 144.24 44.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.69 0.796 . . . . 0.0 109.139 167.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -80.91 158.71 25.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -61.0 133.39 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.245 0.545 . . . . 0.0 111.254 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.25 -0.97 81.99 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.988 0.804 . . . . 0.0 113.739 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.66 167.62 12.77 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.6 1.2 . . . . 0.0 112.093 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -122.18 161.83 22.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -168.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.437 HD11 ' HG3' ' D' ' 6' ' ' ARG . 73.9 mt -150.28 162.0 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 128.109 2.563 . . . . 0.0 108.075 -168.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -143.09 152.98 42.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.935 0.894 . . . . 0.0 112.567 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -134.94 140.57 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.787 1.235 . . . . 0.0 109.196 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.61 50.2 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -126.16 9.97 7.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.116 0.966 . . . . 0.0 111.565 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -135.22 -13.33 2.09 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.29 137.23 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 118.753 0.706 . . . . 0.0 110.416 -171.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 49.5 m -117.58 145.12 44.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.189 0.996 . . . . 0.0 109.409 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -128.75 144.25 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.87 1.268 . . . . 0.0 107.75 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -137.73 138.96 39.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ILE . . . . . 0.407 HD11 HG13 ' D' ' 30' ' ' VAL . 0.0 OUTLIER -95.26 105.59 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 169.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 mt -78.96 -33.57 45.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.463 -0.773 . . . . 0.0 111.203 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.31 -175.08 44.36 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 118.065 0.393 . . . . 0.0 113.058 169.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.7 158.18 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.163 0.585 . . . . 0.0 111.238 169.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -144.12 79.93 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.091 0.956 . . . . 0.0 109.478 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -116.9 4.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mt-30 -90.59 -8.45 50.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.612 0.765 . . . . 0.0 110.604 172.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -79.81 159.36 26.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.671 0.748 . . . . 0.0 112.356 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.407 HG13 HD11 ' D' ' 22' ' ' ILE . 16.5 t -133.92 125.27 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 125.303 1.441 . . . . 0.0 108.487 169.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -79.61 114.49 18.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.47 125.03 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.48 134.11 11.62 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.14 140.42 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.828 0.851 . . . . 0.0 108.923 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -138.05 89.94 2.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.356 0.663 . . . . 0.0 109.239 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.13 67.16 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.463 1.105 . . . . 0.0 109.396 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.32 150.52 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 121.805 1.67 . . . . 0.0 110.274 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -64.5 -0.99 1.53 Allowed 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.43 0.692 . . . . 0.0 112.374 169.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.84 -24.57 66.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.102 1.361 . . . . 0.0 111.248 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.58 159.3 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.456 1.103 . . . . 0.0 110.67 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.13 157.04 16.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 112.255 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.18 125.0 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 168.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -148.76 165.86 30.17 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.212 0.605 . . . . 0.0 111.469 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.3 156.53 28.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.105 0.562 . . . . 0.0 110.158 168.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.74 -38.67 85.93 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.492 0.587 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pm0 -69.03 -19.72 64.11 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mm -92.83 -40.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.93 0.892 . . . . 0.0 111.1 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -46.37 -38.08 8.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.32 1.448 . . . . 0.0 111.894 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.57 -25.45 68.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.586 1.154 . . . . 0.0 113.617 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.25 -48.51 34.26 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 119.132 0.878 . . . . 0.0 109.818 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.521 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.0 mp -62.01 -34.67 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.902 0.481 . . . . 0.0 110.243 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -82.6 0.41 43.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.902 0.481 . . . . 0.0 111.685 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.27 -7.9 59.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.216 1.006 . . . . 0.0 112.212 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.12 45.92 0.44 Allowed Glycine 0 CA--C 1.525 0.697 0 CA-C-O 119.484 -0.62 . . . . 0.0 114.236 169.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -162.68 176.4 10.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.111 0.956 . . . . 0.0 112.116 -169.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -147.7 94.81 2.41 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.54 1.136 . . . . 0.0 108.697 167.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.406 ' HB2' " H2'" ' G' ' 7' ' ' ' C' . . . 42.04 82.95 0.21 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 126.221 1.809 . . . . 0.0 114.012 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -62.69 169.69 8.17 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.553 2.835 . . . . 0.0 114.178 -172.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.455 -0.225 0 C-N-CA 124.365 1.066 . . . . 0.0 112.702 178.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ttt . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 106.822 -1.548 . . . . 0.0 106.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tt -100.93 125.0 47.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 121.637 2.017 . . . . 0.0 110.531 170.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.09 134.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.901 1.28 . . . . 0.0 108.74 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -138.44 164.69 28.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.624 1.169 . . . . 0.0 111.15 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.17 98.24 4.36 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 168.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -105.04 132.34 51.4 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.514 1.526 . . . . 0.0 111.745 -169.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -80.54 157.2 26.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -61.25 136.03 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.292 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.11 -2.75 84.08 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.06 0.838 . . . . 0.0 114.249 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.04 168.18 10.77 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.842 1.321 . . . . 0.0 111.487 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -129.34 159.84 34.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -137.72 158.1 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 126.902 2.081 . . . . 0.0 107.852 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -136.59 148.66 47.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 112.804 -174.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -137.71 137.11 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.658 1.183 . . . . 0.0 109.061 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -137.67 49.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 10.06 7.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.881 0.873 . . . . 0.0 112.46 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -126.89 -12.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.43 136.24 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.153 0.888 . . . . 0.0 111.268 -169.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -126.27 141.23 52.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.706 1.203 . . . . 0.0 109.809 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -120.47 142.03 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.236 1.415 . . . . 0.0 108.06 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.0 m -137.98 127.85 25.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.709 0.404 . . . . 0.0 109.946 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.26 106.45 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.75 -31.87 59.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 110.605 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.2 -177.56 34.0 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 122.961 0.315 . . . . 0.0 113.557 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.44 155.87 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.737 0.815 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.27 89.97 1.77 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.493 1.117 . . . . 0.0 109.333 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.71 -112.13 4.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.29 -22.93 20.31 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.511 0.655 . . . . 0.0 111.611 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.66 146.53 44.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.387 0.613 . . . . 0.0 110.113 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.39 117.21 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -88.04 124.35 33.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.45 127.63 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.778 0.831 . . . . 0.0 110.323 -168.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.6 140.18 15.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.137 0.875 . . . . 0.0 111.497 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.82 119.15 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.025 1.33 . . . . 0.0 108.721 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -122.24 99.0 6.19 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.08 0.552 . . . . 0.0 109.595 -171.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.56 155.76 73.49 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.435 1.094 . . . . 0.0 110.445 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.97 159.46 33.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -68.47 -0.97 5.6 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 123.483 0.713 . . . . 0.0 112.675 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.83 -24.47 67.56 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.883 1.273 . . . . 0.0 111.565 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.3 153.51 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.318 1.047 . . . . 0.0 110.509 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.92 157.46 18.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.79 128.85 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 122.753 0.421 . . . . 0.0 110.293 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -148.13 167.87 23.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.765 1.226 . . . . 0.0 109.051 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -72.44 159.19 34.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.263 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.81 -18.92 65.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.048 0.539 . . . . 0.0 111.948 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.69 -51.22 68.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.948 0.899 . . . . 0.0 112.113 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -75.31 -35.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.534 0.734 . . . . 0.0 109.796 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -54.99 -36.19 65.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 112.149 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -72.29 -21.94 61.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -74.62 -27.64 60.54 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.098 0.559 . . . . 0.0 110.815 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 79.4 mt -90.93 -36.67 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.948 1.299 . . . . 0.0 110.166 -172.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -80.1 3.07 21.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.756 1.222 . . . . 0.0 113.434 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 4.0 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.953 1.301 . . . . 0.0 114.509 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.79 40.5 1.31 Allowed Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.694 -0.629 . . . . 0.0 112.323 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.65 -55.63 0.18 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -170.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m 49.41 25.72 1.41 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.982 1.313 . . . . 0.0 113.011 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.65 127.44 2.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.827 1.251 . . . . 0.0 109.504 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.9 141.94 44.36 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.113 2.542 . . . . 0.0 113.365 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 124.983 1.313 . . . . 0.0 114.366 169.472 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 119.876 -0.107 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.12 151.05 20.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.048 -0.408 . . . . 0.0 111.542 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.85 124.55 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 168.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' LEU . . . . . 0.406 HD13 ' C2 ' ' G' ' 38' ' ' ' A' . 4.0 mm? -113.09 154.26 26.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.161 1.784 . . . . 0.0 108.996 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 105.76 10.81 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 168.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 128.38 56.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.047 1.339 . . . . 0.0 109.981 -169.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -93.52 164.82 13.03 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.204 0.911 . . . . 0.0 112.624 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -57.9 135.53 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.56 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.3 -4.08 80.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 114.156 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -97.03 169.8 9.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.548 1.174 . . . . 0.0 111.575 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.93 166.71 22.7 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -169.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -145.63 150.47 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 126.939 2.095 . . . . 0.0 108.362 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.84 47.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.39 0.541 . . . . 0.0 112.307 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -135.59 137.18 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.316 1.446 . . . . 0.0 109.033 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.53 -132.77 47.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -122.98 5.29 9.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.786 0.834 . . . . 0.0 112.008 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -141.13 -18.54 0.81 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.93 127.36 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 119.339 0.972 . . . . 0.0 110.268 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -118.34 137.6 52.98 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.587 0.755 . . . . 0.0 110.07 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mm -117.06 143.07 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.041 1.336 . . . . 0.0 108.407 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -137.91 131.41 30.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.464 0.706 . . . . 0.0 109.853 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.59 110.72 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -82.39 -28.28 31.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.396 0.678 . . . . 0.0 110.914 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.18 -176.9 33.47 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 123.73 0.681 . . . . 0.0 112.908 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.56 147.66 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.313 0.645 . . . . 0.0 111.369 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -137.52 89.84 2.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.506 1.122 . . . . 0.0 108.366 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.73 -119.16 11.41 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.1 -17.9 38.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.658 0.783 . . . . 0.0 112.528 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 146.11 29.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.431 0.634 . . . . 0.0 110.175 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.84 123.04 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -87.88 120.91 29.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.08 143.09 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 124.138 0.975 . . . . 0.0 110.162 -168.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 141.75 14.47 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 124.177 0.894 . . . . 0.0 111.865 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.25 131.73 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.866 1.267 . . . . 0.0 109.194 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -127.37 106.42 9.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.09 0.956 . . . . 0.0 109.193 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.7 157.06 77.77 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.796 0.839 . . . . 0.0 111.713 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.49 161.1 39.73 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 123.083 2.522 . . . . 0.0 112.08 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -71.18 -4.29 24.75 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.26 0.624 . . . . 0.0 112.642 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.58 -20.51 63.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.737 1.215 . . . . 0.0 112.512 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.89 164.34 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.671 0.789 . . . . 0.0 111.394 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.52 162.56 13.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.378 0.671 . . . . 0.0 111.444 170.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 127.0 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.342 0.657 . . . . 0.0 110.121 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -153.38 172.12 17.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.275 1.03 . . . . 0.0 110.14 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.42 162.67 27.03 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.725 -0.609 . . . . 0.0 109.809 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -60.58 -29.67 69.33 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.73 -43.15 76.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.165 0.986 . . . . 0.0 111.922 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -90.99 -31.75 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.192 0.997 . . . . 0.0 110.276 -172.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -50.57 -33.2 20.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.376 1.07 . . . . 0.0 112.808 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.33 -21.84 60.38 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.667 1.187 . . . . 0.0 112.831 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -77.87 -22.69 49.43 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 126.106 1.762 . . . . 0.0 112.652 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.63 -62.19 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.233 1.013 . . . . 0.0 112.882 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 2.96 40.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -168.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.18 4.11 3.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.29 28.36 4.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.848 1.213 . . . . 0.0 111.453 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 mt -125.29 -164.26 1.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.181 1.392 . . . . 0.0 109.399 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 67.69 -14.73 0.21 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.423 1.489 . . . . 0.0 113.624 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.58 96.7 23.12 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 125.019 1.328 . . . . 0.0 109.544 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -67.61 -179.81 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.147 2.565 . . . . 0.0 113.612 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 124.436 1.094 . . . . 0.0 112.612 176.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 O4'-C1'-N19 111.428 3.228 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.467 3.267 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.696 4.496 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.909 3.709 . 0.213 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.442 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C5'-C4'-C3' 110.176 -3.549 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.442 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 109.306 -4.129 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.406 " H2'" ' HB2' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-C3' 110.215 -3.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C3'-C2'-C1' 104.228 3.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O5'-C5'-C4' 113.38 2.272 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C5'-C4'-C3' 110.14 -3.573 . 0.073 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 0 O5'-C5'-C4' 114.367 2.976 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.456 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C5'-C4'-C3' 111.764 -2.491 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 C5'-C4'-C3' 108.264 -4.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 C4'-C3'-C2' 99.536 -3.164 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 111.59 3.39 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 O4'-C1'-N19 110.847 2.647 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 112.942 -1.705 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 113.588 5.388 . 0.526 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 1 C1'-O4'-C4' 104.842 -5.286 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.822 4.622 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 1 O4'-C1'-N19 112.584 4.384 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.077 -2.623 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.476 4.276 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 112.089 3.889 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 N19-C1'-C2' 109.082 -2.699 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.225 3.025 . 0.539 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.114 -2.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C5'-C4'-C3' 112.349 -2.101 . 0.047 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-C3' 111.13 -2.913 OUTLIER-DELTA 0.019 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 O4'-C1'-N19 111.236 3.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C4'-C3'-C2' 100.352 -2.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.15 2.95 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 O4'-C1'-N19 112.42 4.22 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 C3'-C2'-C1' 105.182 4.091 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.957 4.757 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 1 O4'-C1'-N19 112.57 4.37 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 110.835 -3.11 . 0.62 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.406 ' C2 ' HD13 ' F' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C5'-C4'-C3' 111.331 -2.779 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C3'-C2'-C1' 103.606 2.34 . 0.227 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 113.287 5.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.392 1 C5'-C4'-C3' 108.785 -4.477 . 0.047 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 O4'-C1'-N19 112.317 4.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.438 0 O4'-C1'-N19 112.087 3.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.607 3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.497 4.297 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . 0.41 ' OP2' ' HE3' ' B' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.433 -3.267 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.253 3.053 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 C3'-C2'-C1' 105.909 4.899 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 105.042 3.936 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.157 2.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C3'-C2'-C1' 103.788 2.542 . 0.485 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 1 O5'-C5'-C4' 116.614 4.581 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 111.797 -2.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 O4'-C1'-N19 112.173 3.973 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.073 -2.627 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.137 2.937 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.744 4.544 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 1 O4'-C1'-N19 113.675 5.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 112.176 3.976 . 0.143 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 0 O4'-C1'-N19 111.142 2.942 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 111.442 3.242 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.045 2.828 . 0.446 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C3'-C2'-C1' 105.064 3.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C4'-C3'-C2' 99.834 -2.866 . 0.094 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 110.427 2.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C5'-C4'-C3' 111.915 -2.39 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 2 C5'-C4'-C3' 106.218 -6.188 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.416 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.368 1 P-O3'-C3' 125.732 5.027 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.009 -2.691 . 0.928 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O4'-C1'-N19 112.06 3.86 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.078 2.878 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 110.58 23.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.491 0.716 . . . . 0.0 109.207 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.09 130.22 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.78 160.26 33.99 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.345 1.058 . . . . 0.0 109.795 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.5 m -123.71 128.91 50.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.6 171.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.775 0.83 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -133.75 157.09 46.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.64 118.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-O 120.531 0.205 . . . . 0.0 110.625 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.97 -5.39 50.25 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.575 1.083 . . . . 0.0 114.838 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -94.85 168.67 10.66 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.045 1.423 . . . . 0.0 112.229 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -139.92 154.29 47.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.62 156.32 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 125.984 1.714 . . . . 0.0 109.438 170.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.21 139.94 52.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.49 1.116 . . . . 0.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.2 mt -133.99 131.74 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.169 0.988 . . . . 0.0 109.494 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.62 -131.77 34.74 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 5.04 4.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.898 0.879 . . . . 0.0 112.912 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -127.2 -24.86 3.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -100.1 138.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 118.759 0.709 . . . . 0.0 110.539 -169.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.66 146.05 45.51 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.7 0.8 . . . . 0.0 109.591 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -127.6 140.76 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.705 1.202 . . . . 0.0 108.304 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -138.21 136.11 36.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.471 0.578 . . . . 0.0 110.36 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -85.53 100.62 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.64 -31.35 63.46 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.155 -0.34 . . . . 0.0 110.128 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.5 -170.69 43.24 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 122.997 0.332 . . . . 0.0 112.938 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.2 158.47 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.561 0.745 . . . . 0.0 111.98 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -140.38 70.1 1.36 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.968 1.307 . . . . 0.0 109.823 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.69 -118.66 5.82 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.35 -6.15 52.23 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.416 0.686 . . . . 0.0 111.609 173.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.95 157.88 16.02 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.926 0.869 . . . . 0.0 112.627 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.0 t -143.09 125.5 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 126.709 2.004 . . . . 0.0 107.939 -169.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -110.24 101.99 10.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.383 0.611 . . . . 0.0 110.622 -172.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -106.63 135.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.563 1.545 . . . . 0.0 109.611 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.28 139.55 14.86 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 123.806 0.717 . . . . 0.0 111.532 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.98 133.98 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.293 1.437 . . . . 0.0 108.156 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -122.06 75.0 1.19 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.6 1.16 . . . . 0.0 109.206 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.35 153.82 42.53 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 125.102 1.361 . . . . 0.0 110.805 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.41 153.9 55.68 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.6 2.2 . . . . 0.0 110.497 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.6 -4.15 14.35 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.09 -25.41 64.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.961 0.904 . . . . 0.0 112.135 169.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.87 144.07 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.727 0.775 . . . . 0.0 111.505 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.47 143.05 29.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.888 0.875 . . . . 0.0 110.707 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.67 128.79 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 122.647 0.379 . . . . 0.0 110.413 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -150.32 -175.9 5.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.696 1.198 . . . . 0.0 109.714 -172.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -129.12 167.46 17.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 171.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.02 -37.58 83.06 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.43 -5.82 35.67 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -119.21 -26.88 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.994 1.318 . . . . 0.0 111.09 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.27 -30.73 71.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.481 -0.762 . . . . 0.0 110.334 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.29 -13.78 60.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.791 0.837 . . . . 0.0 111.552 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.2 -34.3 32.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.645 1.178 . . . . 0.0 110.748 169.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -63.48 -53.65 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -84.03 5.08 27.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.882 0.873 . . . . 0.0 112.59 -175.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.08 63.31 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.487 0.315 . . . . 0.0 111.18 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.74 2.85 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.287 -0.729 . . . . 0.0 113.219 172.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 56' ' ' THR . 12.8 mt -85.6 90.53 8.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 118.799 1.299 . . . . 0.0 107.621 -174.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 55' ' ' LEU . 2.2 p 151.01 -27.91 0.01 OUTLIER 'General case' 0 C--O 1.23 0.058 0 C-N-CA 128.035 2.534 . . . . 0.0 110.511 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 153.14 39.87 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.369 1.068 . . . . 0.0 113.862 -167.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -70.19 -179.75 3.33 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.114 2.543 . . . . 0.0 112.662 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.727 1.211 . . . . 0.0 111.0 -173.561 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -110.46 121.93 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.11 139.8 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 122.804 0.442 . . . . 0.0 111.56 -166.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.1 mt -135.52 135.03 40.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.266 1.027 . . . . 0.0 111.117 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.461 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 26.2 m -94.37 121.54 36.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.84 160.54 24.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.329 1.452 . . . . 0.0 109.028 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -120.23 163.01 18.42 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 119.215 0.916 . . . . 0.0 111.122 167.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -62.66 125.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 121.383 0.611 . . . . 0.0 110.464 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.63 -4.59 58.09 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-O 118.812 -0.994 . . . . 0.0 115.083 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.92 166.38 13.98 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.407 1.603 . . . . 0.0 111.447 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -129.87 153.99 47.75 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.727 0.811 . . . . 0.0 112.324 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 19.4 mt -131.38 154.41 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.539 1.936 . . . . 0.0 109.43 -175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -135.63 139.65 43.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.728 -0.607 . . . . 0.0 111.705 -173.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -133.07 128.23 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.344 1.058 . . . . 0.0 109.505 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -135.12 52.08 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.09 4.9 6.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.793 0.837 . . . . 0.0 112.775 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.78 -21.3 11.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.66 135.26 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.847 0.749 . . . . 0.0 111.283 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -130.21 149.26 51.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.919 1.288 . . . . 0.0 109.652 170.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.49 146.46 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.764 1.625 . . . . 0.0 108.002 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -138.64 132.38 30.84 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.078 -0.389 . . . . 0.0 110.257 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.409 HG22 ' H ' ' B' ' 22' ' ' ILE . 1.1 tp -85.42 96.74 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.63 -31.81 71.22 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.933 -0.479 . . . . 0.0 111.133 -174.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.87 -174.58 37.52 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 113.399 0.12 . . . . 0.0 113.399 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -114.72 152.03 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.246 0.618 . . . . 0.0 110.961 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -132.91 77.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.87 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -115.8 4.09 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.23 16.7 24.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 111.488 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -99.01 159.08 15.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.41 1.084 . . . . 0.0 109.63 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.19 118.6 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.415 1.086 . . . . 0.0 109.498 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.29 123.65 36.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.046 1.338 . . . . 0.0 109.608 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.0 131.06 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.052 0.941 . . . . 0.0 110.324 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.18 138.71 14.18 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.9 131.4 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.842 0.83 . . . . 0.0 109.543 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 74.97 1.6 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.495 -1.229 . . . . 0.0 109.505 -168.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.16 157.15 51.64 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.357 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.33 155.35 41.26 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.732 1.621 . . . . 0.0 109.825 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -0.84 11.2 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.879 0.847 . . . . 0.0 111.136 174.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.71 -25.36 67.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.301 1.84 . . . . 0.0 111.257 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.65 144.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.456 1.102 . . . . 0.0 109.999 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.88 141.63 30.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.663 0.744 . . . . 0.0 111.487 170.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.55 99.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.509 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 156.95 44.44 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.234 0.54 . . . . 0.0 112.335 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -62.53 153.15 32.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.616 0.766 . . . . 0.0 111.011 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -55.26 -40.01 70.46 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.098 0.559 . . . . 0.0 112.421 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -64.97 -17.0 64.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -91.63 -50.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.047 0.939 . . . . 0.0 110.592 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -51.22 -36.25 40.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.299 1.04 . . . . 0.0 111.857 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -70.73 -20.78 62.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -80.59 -39.93 26.68 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.481 1.037 . . . . 0.0 110.33 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.2 mt -63.15 -40.77 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -176.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -80.45 5.0 16.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.73 -20.79 38.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 111.75 169.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.36 45.74 0.07 OUTLIER Glycine 0 C--N 1.339 0.699 0 CA-C-O 119.312 -0.716 . . . . 0.0 114.711 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.05 -176.08 2.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.065 0.933 . . . . 0.0 113.021 -168.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.8 p -126.55 -179.15 4.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.552 1.541 . . . . 0.0 109.23 167.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.44 123.88 2.84 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.37 1.068 . . . . 0.0 112.093 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -65.39 175.86 3.81 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.513 2.142 . . . . 0.0 114.247 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.017 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.07 19.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.465 1.106 . . . . 0.0 108.291 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.88 133.49 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.933 0.893 . . . . 0.0 109.468 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.07 140.54 50.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.292 1.037 . . . . 0.0 110.011 169.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -100.55 140.37 34.91 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.586 0.355 . . . . 0.0 110.842 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.64 140.03 42.47 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.559 0.744 . . . . 0.0 110.75 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.2 tptm -76.51 153.64 35.31 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.33 133.66 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.159 0.89 . . . . 0.0 111.462 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.22 -3.47 79.99 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.723 1.154 . . . . 0.0 114.305 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -88.11 177.24 6.97 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.421 1.61 . . . . 0.0 112.51 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -138.6 158.43 44.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -167.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -139.91 158.74 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 128.006 2.523 . . . . 0.0 108.031 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -131.68 149.92 52.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.164 0.986 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -134.55 136.41 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 108.992 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.65 41.32 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.756 0.694 . . . . 0.0 111.558 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.14 10.05 10.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.274 1.03 . . . . 0.0 111.74 169.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -120.61 -16.17 8.33 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.551 1.14 . . . . 0.0 113.144 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.95 139.22 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 118.965 0.802 . . . . 0.0 111.773 -169.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -125.08 143.05 51.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.893 1.277 . . . . 0.0 109.449 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mm -123.75 140.84 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.182 1.393 . . . . 0.0 108.361 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -136.37 135.88 39.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.796 0.438 . . . . 0.0 110.685 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.06 112.93 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 167.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.4 HD13 " H1'" ' G' ' 67' ' ' ' C' . 11.4 mt -84.8 -37.66 20.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.867 -0.521 . . . . 0.0 110.167 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -174.54 43.0 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.112 169.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.03 154.22 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -146.49 100.15 3.31 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.767 1.227 . . . . 0.0 108.997 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.85 -120.02 17.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -170.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.38 1.74 47.23 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.934 0.893 . . . . 0.0 111.823 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 26.4 mt-30 -91.69 156.34 17.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.858 0.837 . . . . 0.0 111.767 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.14 123.85 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.92 1.288 . . . . 0.0 108.389 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -83.13 115.89 22.1 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 169.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.74 122.82 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.062 1.345 . . . . 0.0 109.563 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 138.85 15.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 125.117 1.342 . . . . 0.0 111.712 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.0 mt -132.82 135.02 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.98 92.04 2.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.66 156.19 79.76 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.03 0.932 . . . . 0.0 110.379 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.6 152.75 76.01 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.578 2.185 . . . . 0.0 111.053 170.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.45 -1.19 4.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.91 -19.73 65.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.795 1.238 . . . . 0.0 111.372 168.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.18 149.4 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.072 0.949 . . . . 0.0 110.774 172.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 156.39 20.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.103 0.561 . . . . 0.0 111.419 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.0 131.02 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 110.032 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -157.01 165.03 37.29 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.482 0.713 . . . . 0.0 111.701 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -77.64 160.69 28.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 166.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.34 -28.79 70.0 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.236 0.615 . . . . 0.0 112.003 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.17 -45.84 83.32 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.042 0.937 . . . . 0.0 111.305 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -90.88 -29.24 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.74 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.637 ' HA ' HD13 ' C' ' 51' ' ' ILE . 40.3 t80 -48.83 -38.99 23.82 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.302 0.641 . . . . 0.0 111.73 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -52.67 -20.84 3.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 126.623 1.969 . . . . 0.0 114.172 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -87.22 -38.49 16.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp -49.57 -42.7 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.44 1.496 . . . . 0.0 112.72 -168.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.0 2.01 29.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 126.623 1.969 . . . . 0.0 109.912 -168.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.04 -17.6 36.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.347 1.859 . . . . 0.0 112.956 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.07 125.24 4.99 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -168.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.38 157.9 16.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.273 0.629 . . . . 0.0 111.902 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -93.9 148.68 21.91 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.846 0.858 . . . . 0.0 111.176 174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.4 70.73 1.62 Allowed Pre-proline 0 N--CA 1.455 -0.214 0 C-N-CA 125.552 1.541 . . . . 0.0 113.427 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -65.34 172.1 8.22 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.972 2.448 . . . . 0.0 113.668 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 124.284 1.033 . . . . 0.0 112.771 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -122.62 114.84 21.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.45 1.5 . . . . 0.0 107.325 166.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.16 124.81 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.812 1.245 . . . . 0.0 108.662 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -112.42 169.17 9.06 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.419 1.088 . . . . 0.0 110.339 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -136.61 109.89 7.84 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.918 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -126.79 149.05 49.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.763 0.825 . . . . 0.0 111.081 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 15.1 mmtp -75.78 160.96 29.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 111.657 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.82 139.67 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.15 0.58 . . . . 0.0 111.622 169.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.64 -3.78 86.67 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.421 1.01 . . . . 0.0 113.798 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -87.79 169.8 11.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.979 1.389 . . . . 0.0 112.809 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -128.05 154.47 45.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.938 0.895 . . . . 0.0 112.349 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -146.26 158.94 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 127.234 2.214 . . . . 0.0 108.263 -170.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -137.99 152.32 48.78 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.298 -0.876 . . . . 0.0 112.747 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.83 138.02 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.985 1.314 . . . . 0.0 108.962 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -135.17 51.95 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.39 10.02 5.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.103 0.961 . . . . 0.0 112.422 172.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -125.15 -14.83 6.46 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.94 138.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 118.903 0.774 . . . . 0.0 111.027 -169.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -122.96 146.81 47.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.529 1.132 . . . . 0.0 109.769 174.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.04 141.67 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.59 1.556 . . . . 0.0 107.949 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -139.46 131.14 27.33 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -88.25 109.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -83.14 -28.55 29.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.366 0.666 . . . . 0.0 110.7 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.48 -174.06 38.82 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 122.662 0.172 . . . . 0.0 112.816 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.04 160.24 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 122.891 0.476 . . . . 0.0 110.888 169.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.1 m -146.68 76.32 1.43 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.646 1.178 . . . . 0.0 108.916 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -120.14 5.88 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.473 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.1 mp0 -89.38 -11.66 42.58 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 110.915 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -81.07 151.22 28.45 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.638 0.732 . . . . 0.0 111.221 170.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.64 128.9 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.941 1.297 . . . . 0.0 107.568 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -96.83 115.25 27.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.032 0.933 . . . . 0.0 108.89 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.78 124.49 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.432 0.693 . . . . 0.0 110.335 -168.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.84 141.14 15.9 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.821 1.201 . . . . 0.0 110.922 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -134.44 135.51 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -138.04 89.93 2.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -171.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.98 155.82 54.99 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.636 1.174 . . . . 0.0 109.524 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.54 150.28 86.02 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.032 1.821 . . . . 0.0 110.524 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.67 -1.12 6.21 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.68 -23.19 66.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.903 1.281 . . . . 0.0 111.54 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -124.07 160.0 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.263 1.025 . . . . 0.0 110.716 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.09 16.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.28 0.632 . . . . 0.0 112.336 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.69 127.44 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 O-C-N 121.928 -0.483 . . . . 0.0 110.216 168.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.08 166.58 30.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.81 . . . . 0.0 111.541 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.77 156.67 19.8 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.33 -36.93 79.08 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.656 -0.652 . . . . 0.0 111.507 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.85 -21.51 66.02 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.11 -38.23 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.253 1.021 . . . . 0.0 111.102 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -47.29 -38.38 12.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.157 1.383 . . . . 0.0 111.849 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.81 -24.93 67.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.632 1.173 . . . . 0.0 113.506 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 3.4 mpt_? -73.51 -48.05 36.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 119.181 0.901 . . . . 0.0 109.694 172.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.516 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.8 mp -62.2 -34.05 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 122.964 0.505 . . . . 0.0 110.354 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.93 -0.8 45.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.941 0.497 . . . . 0.0 111.703 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -84.22 -6.43 59.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.408 1.083 . . . . 0.0 112.198 169.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.45 47.96 0.52 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 119.556 -0.58 . . . . 0.0 114.147 169.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -163.1 176.9 9.58 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.055 0.928 . . . . 0.0 112.341 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -150.06 92.78 1.93 Allowed 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 125.296 1.438 . . . . 0.0 108.783 167.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.83 81.92 0.24 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 126.004 1.722 . . . . 0.0 113.662 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.16 170.05 6.9 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.438 2.759 . . . . 0.0 114.185 -173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 124.433 1.093 . . . . 0.0 112.687 179.044 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ttt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -105.14 130.4 53.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 121.074 1.761 . . . . 0.0 110.38 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.91 139.2 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.162 0.985 . . . . 0.0 109.254 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.53 164.52 27.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.379 1.472 . . . . 0.0 110.684 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -125.81 99.05 5.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 130.44 53.09 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.86 1.264 . . . . 0.0 110.944 -170.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.83 159.21 18.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.155 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.06 136.06 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.688 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.75 -2.98 80.92 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.117 0.865 . . . . 0.0 114.341 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -97.38 173.74 7.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.641 1.221 . . . . 0.0 111.543 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -134.18 158.73 42.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -133.07 155.2 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 126.73 2.012 . . . . 0.0 107.688 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.94 144.63 43.53 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.505 -0.747 . . . . 0.0 111.805 -169.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 54.0 mt -137.15 136.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.399 1.08 . . . . 0.0 109.417 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.39 -136.89 50.64 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -126.83 10.0 7.01 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.931 0.892 . . . . 0.0 112.445 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -128.28 -12.76 5.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 134.62 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 119.186 0.903 . . . . 0.0 111.009 -170.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 58.2 m -131.42 144.15 50.98 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.328 1.051 . . . . 0.0 110.275 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -120.77 142.99 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.898 1.679 . . . . 0.0 107.838 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -136.05 125.91 25.77 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.902 0.481 . . . . 0.0 109.992 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -78.86 106.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.91 -30.16 56.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.972 -0.455 . . . . 0.0 110.911 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 -174.52 34.9 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.017 0.342 . . . . 0.0 113.667 170.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.13 157.64 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 C-N-CA 123.622 0.769 . . . . 0.0 112.27 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -150.05 91.0 1.73 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.24 -112.67 4.29 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 121.681 -0.637 . . . . 0.0 111.719 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -92.24 -18.0 24.03 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.745 0.773 . . . . 0.0 111.448 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -74.8 144.58 43.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.644 0.735 . . . . 0.0 110.091 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -141.12 110.66 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -87.5 125.97 34.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.98 133.15 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.157 0.583 . . . . 0.0 110.509 -168.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 145.32 17.68 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.568 1.08 . . . . 0.0 111.702 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.84 124.92 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.864 1.266 . . . . 0.0 108.926 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -124.51 100.09 6.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.385 0.674 . . . . 0.0 109.424 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.64 155.24 71.65 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -63.29 158.77 42.87 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.093 2.529 . . . . 0.0 112.137 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -72.63 -1.03 14.61 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.28 -21.06 66.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.327 1.051 . . . . 0.0 111.396 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -125.57 159.39 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 110.647 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.77 16.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.32 125.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.098 0.559 . . . . 0.0 110.668 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -151.81 166.55 31.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.264 1.026 . . . . 0.0 110.874 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -72.43 155.86 39.67 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -58.91 -29.61 67.18 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.709 0.404 . . . . 0.0 111.8 -172.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.46 -51.6 68.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.439 1.095 . . . . 0.0 111.94 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -74.9 -33.26 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.839 1.256 . . . . 0.0 109.972 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.06 -37.18 68.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.713 0.805 . . . . 0.0 112.138 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.14 -25.76 64.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.175 0.59 . . . . 0.0 112.567 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.19 -26.64 63.04 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.012 0.525 . . . . 0.0 110.391 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' E' ' 55' ' ' LEU . 93.6 mt -92.73 -42.67 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.444 1.098 . . . . 0.0 109.497 -170.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 52' ' ' GLN . . . . . 0.508 ' NE2' HG22 ' E' ' 51' ' ' ILE . 29.2 mm-40 -76.65 3.11 12.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -21.78 66.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.638 0.775 . . . . 0.0 112.133 169.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.06 32.62 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.079 -0.845 . . . . 0.0 115.145 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' E' ' 51' ' ' ILE . 12.8 mt -124.18 -142.78 0.31 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.664 1.232 . . . . 0.0 111.169 -170.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.8 6.47 2.15 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 126.572 1.949 . . . . 0.0 113.379 -171.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.34 133.63 10.19 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 125.006 1.322 . . . . 0.0 109.028 172.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.34 -177.76 0.96 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.856 2.371 . . . . 0.0 113.221 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.473 1.109 . . . . 0.0 112.759 177.541 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.17 148.33 22.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.948 -0.47 . . . . 0.0 111.651 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.407 HD11 H5'' ' G' ' 42' ' ' ' C' . 4.2 mp -130.81 135.74 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.817 0.847 . . . . 0.0 109.398 169.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.27 162.01 29.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.65 1.18 . . . . 0.0 110.02 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 97.96 4.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.513 ' HD3' HD11 ' F' ' 12' ' ' ILE . 5.4 ttp180 -105.06 162.09 13.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.853 1.261 . . . . 0.0 110.82 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -116.83 168.51 10.16 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -53.85 134.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.356 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 -11.61 65.1 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.513 1.054 . . . . 0.0 114.804 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.02 175.65 6.79 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.402 1.601 . . . . 0.0 113.048 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -138.65 156.04 47.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' F' ' 6' ' ' ARG . 40.7 mm -128.76 155.06 40.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 126.557 1.943 . . . . 0.0 108.381 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -121.17 148.65 43.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.669 0.788 . . . . 0.0 112.071 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.58 140.24 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.657 1.183 . . . . 0.0 108.836 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.65 -132.52 51.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.5 1.28 8.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.101 0.961 . . . . 0.0 111.938 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -138.14 -11.22 1.47 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.0 137.22 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.973 0.806 . . . . 0.0 110.511 -174.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -128.66 140.76 51.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.318 1.047 . . . . 0.0 110.044 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -118.3 139.76 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.085 1.354 . . . . 0.0 108.139 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 41.2 m -136.28 136.64 39.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.498 0.719 . . . . 0.0 110.27 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -96.86 106.7 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.07 -34.98 56.95 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.71 0.404 . . . . 0.0 110.072 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.59 -175.41 39.01 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 122.942 0.306 . . . . 0.0 113.301 169.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.12 151.31 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.444 0.698 . . . . 0.0 111.529 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 61.5 m -142.37 89.9 2.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.494 1.118 . . . . 0.0 108.624 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.99 -119.97 20.71 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -83.12 -24.84 32.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.367 0.584 . . . . 0.0 112.238 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -69.63 145.71 52.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.865 0.866 . . . . 0.0 110.85 173.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 t -137.61 119.64 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.75 112.49 18.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.578 0.751 . . . . 0.0 109.277 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.51 134.17 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.735 0.814 . . . . 0.0 110.383 -173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.27 142.46 15.76 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.59 1.09 . . . . 0.0 111.547 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.28 136.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.469 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -127.76 109.47 11.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.097 0.959 . . . . 0.0 108.952 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.44 157.41 77.47 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 123.523 0.729 . . . . 0.0 111.392 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.95 162.86 30.59 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.915 2.41 . . . . 0.0 112.214 172.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.32 -11.21 29.83 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.97 -20.35 66.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.35 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.96 162.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.161 0.984 . . . . 0.0 110.925 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.25 159.64 18.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.945 0.498 . . . . 0.0 111.078 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 124.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.969 0.507 . . . . 0.0 110.339 169.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -154.1 173.36 16.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.915 0.886 . . . . 0.0 111.117 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -80.46 163.68 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 167.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -19.17 65.12 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.27 -44.52 97.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.918 -0.489 . . . . 0.0 110.977 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -85.99 -35.39 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.474 0.71 . . . . 0.0 110.087 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -55.42 -37.38 67.58 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.763 0.825 . . . . 0.0 112.022 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.11 -26.49 67.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.47 0.708 . . . . 0.0 112.542 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -75.74 -24.8 56.14 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.543 0.737 . . . . 0.0 111.011 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -94.19 -36.02 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.044 1.338 . . . . 0.0 110.017 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -80.79 3.14 23.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.052 0.941 . . . . 0.0 113.139 174.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.9 -7.03 6.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.8 37.46 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.838 0.732 . . . . 0.0 112.744 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.95 -52.87 0.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m 44.29 40.68 3.84 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.902 1.281 . . . . 0.0 112.456 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.2 126.16 3.29 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.294 1.038 . . . . 0.0 109.744 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -64.09 170.4 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.46 2.107 . . . . 0.0 113.751 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.984 1.314 . . . . 0.0 112.594 178.772 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.802 3.602 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.432 3.232 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.965 1 O4'-C1'-N19 112.71 4.51 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 O4'-C1'-N19 112.3 4.1 . 0.123 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.449 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 104.377 3.197 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.449 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 C5'-C4'-C3' 108.055 -4.964 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 O4'-C1'-N19 111.769 3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C3'-C2'-C1' 104.172 2.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 O5'-C5'-C4' 113.434 2.31 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 1 C3'-C2'-C1' 105.313 4.237 . 0.15 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 1 O4'-C1'-N19 112.299 4.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 111.512 -2.659 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C5'-C4'-C3' 110.397 -3.402 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.922 -2.778 . 0.936 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 111.674 3.474 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.914 2.714 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 111.096 -2.936 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 113.566 5.366 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 2 C1'-O4'-C4' 104.522 -5.642 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.812 4.612 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 2 O4'-C1'-N19 112.864 4.664 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C5'-C4'-C3' 111.687 -2.542 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 O4'-C1'-N19 112.609 4.409 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.143 3.943 . 0.405 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 110.814 2.614 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 O4'-C1'-N19 111.184 2.984 . 0.508 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 C5'-C4'-C3' 111.592 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C5'-C4'-C3' 111.8 -2.467 . 0.108 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.4 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C5'-C4'-C3' 111.539 -2.641 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 111.181 2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . 0.4 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C4'-C3'-C2' 100.405 -2.295 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.984 2.784 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.4 4.2 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C4'-C3'-C2' 99.132 -3.568 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.299 -3.401 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.441 4.241 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 115.245 7.045 . 0.062 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C5'-C4'-C3' 111.559 -2.628 . 0.749 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 C3'-C2'-C1' 104.151 2.946 . 0.154 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 O4'-C1'-N19 112.864 4.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 1 C5'-C4'-C3' 108.782 -4.479 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . 0.407 H5'' HD11 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.272 1 O4'-C1'-N19 112.562 4.362 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . 0.4 " H1'" " H1'" ' G' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.994 4.794 . 0.01 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . 0.4 " H1'" " H1'" ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.334 1 O4'-C1'-N19 112.268 4.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 1 O4'-C1'-N19 112.418 4.218 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.587 -3.113 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . 0.461 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 112.194 3.994 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C3'-C2'-C1' 104.808 3.676 . 0.321 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C4'-C3'-C2' 99.381 -3.319 . 0.013 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 O4'-C1'-N19 111.897 3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.424 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.513 3 O5'-C5'-C4' 116.594 4.567 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.424 H5'' " C2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.466 1 O5'-C5'-C4' 118.06 5.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . 0.409 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-C3' 111.695 -2.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.407 4.207 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.282 -2.418 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 O4'-C1'-N19 111.092 2.892 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 1 O4'-C1'-N19 112.527 4.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C5'-C4'-C3' 111.593 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 112.059 3.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.53 3.33 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.666 3.466 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C5'-C4'-C3' 111.005 -2.997 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.502 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C5'-C4'-C3' 109.612 -3.925 . 0.147 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.502 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 99.512 -3.188 . 0.128 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 P-O3'-C3' 122.625 2.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 111.335 -2.777 . 0.154 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.4 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C3'-C2'-C1' 97.981 -3.91 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C4'-C3'-C2' 100.144 -2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.516 -2.656 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 O4'-C1'-N19 112.029 3.829 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.383 3.183 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 1 O4'-C1'-N19 113.085 4.885 . 0.585 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 110.33 22.91 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.653 0.661 . . . . 0.0 109.441 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.47 134.44 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.593 0.757 . . . . 0.0 109.076 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -131.38 155.25 47.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 109.647 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -116.2 101.04 8.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.99 138.61 45.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.72 0.808 . . . . 0.0 110.474 -169.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -105.23 154.29 20.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.432 0.293 . . . . 0.0 110.254 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -50.45 124.78 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.455 0.702 . . . . 0.0 111.072 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.59 -5.03 69.87 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.763 1.173 . . . . 0.0 114.331 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -93.12 169.39 10.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.829 1.315 . . . . 0.0 111.711 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -137.88 148.53 45.46 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HD2' ' A' ' 6' ' ' ARG . 40.0 mm -109.5 153.92 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 125.875 1.67 . . . . 0.0 109.326 169.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -124.67 136.51 53.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.676 1.191 . . . . 0.0 109.57 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -130.93 131.1 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.103 0.961 . . . . 0.0 109.726 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 -127.98 29.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -124.4 -2.27 8.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.809 0.843 . . . . 0.0 112.661 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -135.61 -26.95 1.2 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -92.98 140.42 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.603 0.638 . . . . 0.0 110.302 -171.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -133.24 146.76 51.74 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.63 0.772 . . . . 0.0 109.327 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 mm -127.93 138.53 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.797 1.239 . . . . 0.0 107.983 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -133.97 132.52 40.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.448 0.567 . . . . 0.0 110.408 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.39 102.53 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.92 -29.85 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.981 -0.45 . . . . 0.0 110.11 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -171.07 40.45 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 113.796 0.278 . . . . 0.0 113.796 168.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.76 155.98 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -139.97 60.93 1.54 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.218 1.007 . . . . 0.0 110.721 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.66 -121.05 5.38 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -173.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.4 21.55 3.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.774 0.83 . . . . 0.0 111.812 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -138.87 159.49 42.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.956 0.902 . . . . 0.0 112.27 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 t -128.96 136.41 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 109.437 -167.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.04 103.59 12.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.01 0.924 . . . . 0.0 110.109 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.66 132.8 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.351 1.46 . . . . 0.0 109.289 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.51 139.0 14.55 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.729 0.68 . . . . 0.0 111.619 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -111.29 129.11 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.302 1.441 . . . . 0.0 108.168 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -118.38 74.94 0.98 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.322 1.049 . . . . 0.0 109.323 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.97 152.26 40.25 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.35 152.8 66.49 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.315 2.01 . . . . 0.0 110.181 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -70.39 -1.13 9.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.6 -25.53 63.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.179 0.992 . . . . 0.0 111.632 169.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.01 144.06 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.933 0.873 . . . . 0.0 111.732 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.0 32.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.08 0.952 . . . . 0.0 110.767 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 m -130.81 131.68 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.744 0.417 . . . . 0.0 110.136 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -151.44 -176.04 5.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.555 1.142 . . . . 0.0 110.38 -171.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -125.32 167.1 15.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 172.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -52.24 -53.73 40.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -166.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -76.69 -0.94 25.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.282 0.947 . . . . 0.0 113.19 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 44' ' ' ARG . 2.8 mt -106.5 -26.49 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.205 1.002 . . . . 0.0 110.321 169.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.29 -32.61 73.36 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.448 -0.783 . . . . 0.0 110.565 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.86 -19.3 61.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.081 0.952 . . . . 0.0 111.81 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -76.97 -34.97 57.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.905 0.882 . . . . 0.0 111.186 171.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.7 -51.54 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -84.06 5.07 27.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.055 0.942 . . . . 0.0 112.965 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -22.78 66.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.956 0.502 . . . . 0.0 111.969 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.04 -15.93 1.53 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 123.955 0.788 . . . . 0.0 112.68 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.4 pp -84.69 90.82 7.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.976 0.893 . . . . 0.0 110.812 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -138.49 111.21 7.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.634 -0.666 . . . . 0.0 110.227 -172.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.79 154.3 37.24 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 123.904 0.882 . . . . 0.0 111.266 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.37 162.13 41.0 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.219 2.613 . . . . 0.0 111.647 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.34 171.044 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.58 122.34 45.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.328 1.451 . . . . 0.0 107.4 168.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.4 HD11 " H5'" ' G' ' 52' ' ' ' A' . 57.5 mt -118.16 140.35 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -165.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -132.98 142.43 48.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.064 1.346 . . . . 0.0 110.453 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -114.17 110.53 20.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -130.87 144.68 51.64 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.094 0.958 . . . . 0.0 111.492 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -78.1 158.77 29.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 m -58.93 135.57 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.666 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.48 71.61 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.111 -0.827 . . . . 0.0 114.738 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -90.3 165.63 13.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.977 1.389 . . . . 0.0 112.112 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -128.8 156.47 43.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.714 0.769 . . . . 0.0 112.685 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -141.8 156.1 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.362 1.865 . . . . 0.0 108.804 -170.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.25 143.97 40.34 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.702 -0.624 . . . . 0.0 112.548 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -135.95 142.7 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 116.855 -1.545 . . . . 0.0 107.109 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 15.94 122.66 0.0 OUTLIER Glycine 0 C--N 1.34 0.779 0 CA-C-O 115.802 -2.665 . . . . 0.0 110.602 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.54 5.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 120.98 3.696 . . . . 0.0 120.98 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.9 m-20 -86.83 -21.35 26.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.677 1.191 . . . . 0.0 112.265 164.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -114.57 142.84 25.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 121.229 1.832 . . . . 0.0 113.229 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -139.39 151.59 46.42 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.898 1.279 . . . . 0.0 109.986 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.08 145.07 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 126.065 1.746 . . . . 0.0 108.583 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.4 m -138.74 130.75 28.1 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.099 0.56 . . . . 0.0 110.119 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 22' ' ' ILE . 2.6 tp -82.54 111.9 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 170.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.19 -31.03 38.81 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.125 -0.359 . . . . 0.0 110.978 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.87 179.69 33.89 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 122.57 0.129 . . . . 0.0 113.306 169.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.34 150.63 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.123 0.569 . . . . 0.0 110.903 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -133.56 78.37 1.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.568 1.147 . . . . 0.0 108.567 170.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.77 -116.7 4.7 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.68 7.28 43.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.283 0.633 . . . . 0.0 110.801 177.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 150.61 21.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.038 0.935 . . . . 0.0 110.034 169.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.14 115.64 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.291 0.636 . . . . 0.0 109.316 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.91 118.19 26.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.08 0.952 . . . . 0.0 109.575 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.96 132.17 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.146 0.978 . . . . 0.0 109.862 -169.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.77 138.15 13.93 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -120.33 132.63 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.838 0.828 . . . . 0.0 108.978 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -130.94 82.73 2.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.661 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.92 156.0 80.54 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.183 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -58.55 155.97 33.96 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.905 1.737 . . . . 0.0 110.808 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.619 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.2 mmtm -72.54 -0.68 13.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.92 0.488 . . . . 0.0 111.999 171.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.9 -27.52 68.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.978 1.311 . . . . 0.0 112.068 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.42 144.08 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.706 0.802 . . . . 0.0 110.315 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.13 142.3 27.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.299 0.571 . . . . 0.0 111.504 170.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.14 96.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.855 -166.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.75 159.69 42.82 Favored 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 121.674 -0.641 . . . . 0.0 111.522 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.9 ptt-85 -63.91 156.3 28.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.55 0.214 . . . . 0.0 111.308 169.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.48 -37.17 62.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.429 0.691 . . . . 0.0 112.356 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.46 -47.76 66.27 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.16 0.436 . . . . 0.0 110.988 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.46 -47.32 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.307 1.443 . . . . 0.0 110.037 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.67 -36.22 45.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.113 0.965 . . . . 0.0 111.59 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.41 -21.13 62.03 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -83.91 -37.77 21.94 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.371 0.987 . . . . 0.0 110.683 169.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 94.9 mt -62.93 -41.9 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -79.55 5.1 13.88 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 173.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.61 -20.33 47.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.865 -0.522 . . . . 0.0 111.489 168.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.97 45.18 0.07 OUTLIER Glycine 0 C--N 1.338 0.661 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.546 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -176.09 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.062 0.931 . . . . 0.0 113.061 -168.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -125.24 178.74 5.41 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.568 1.547 . . . . 0.0 109.093 167.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.32 123.2 1.35 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 124.623 1.169 . . . . 0.0 112.297 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -66.84 -177.07 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.974 2.449 . . . . 0.0 113.566 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 124.013 0.925 . . . . 0.0 112.48 171.521 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 112.02 23.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 166.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.35 136.73 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.897 0.879 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.016 0.926 . . . . 0.0 109.595 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.55 144.51 25.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.436 ' NH1' HD12 ' C' ' 12' ' ' ILE . 2.0 ttp-105 -146.06 157.97 43.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.2 tptm -91.82 153.58 19.48 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.27 1.028 . . . . 0.0 109.546 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.84 135.57 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 118.33 0.514 . . . . 0.0 111.74 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 -6.16 68.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.894 1.235 . . . . 0.0 114.698 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -92.12 176.05 6.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.318 1.559 . . . . 0.0 113.057 -173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -129.63 152.08 49.54 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.436 HD12 ' NH1' ' C' ' 6' ' ' ARG . 23.2 mt -134.22 152.95 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 126.916 2.087 . . . . 0.0 108.676 173.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.55 145.91 44.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.014 0.925 . . . . 0.0 111.25 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -130.98 129.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.565 1.146 . . . . 0.0 108.597 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.68 -138.81 47.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -117.64 4.84 12.33 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.851 1.26 . . . . 0.0 111.078 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.7 -17.23 5.99 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -169.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.62 140.11 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.967 0.803 . . . . 0.0 110.874 -170.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -129.27 140.66 51.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 109.719 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -117.49 135.46 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 108.836 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -127.36 129.73 48.13 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.331 0.653 . . . . 0.0 110.047 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -88.86 117.06 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.651 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.5 mt -91.61 -38.5 12.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.139 -0.351 . . . . 0.0 110.375 -174.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.67 -178.58 42.59 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 113.809 0.283 . . . . 0.0 113.809 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.45 154.23 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.644 0.777 . . . . 0.0 110.467 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -151.45 106.27 3.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 108.607 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.7 -133.63 25.37 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.27 1.77 56.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.852 0.861 . . . . 0.0 111.993 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.85 151.72 21.62 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.989 0.915 . . . . 0.0 110.458 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.0 118.97 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 124.122 0.969 . . . . 0.0 108.664 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -77.98 112.12 14.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.473 0.579 . . . . 0.0 109.627 171.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.78 127.16 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.841 1.256 . . . . 0.0 109.658 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.89 139.22 14.36 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.298 0.951 . . . . 0.0 111.971 173.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.13 118.58 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.583 1.153 . . . . 0.0 108.498 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -116.39 92.05 3.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.089 0.556 . . . . 0.0 110.115 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.5 157.79 71.83 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.397 1.079 . . . . 0.0 110.067 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.39 153.89 71.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.622 2.215 . . . . 0.0 111.179 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.72 -1.01 3.31 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 123.293 0.637 . . . . 0.0 112.474 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -22.22 66.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.241 1.016 . . . . 0.0 111.334 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.02 148.93 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.42 156.99 19.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.711 0.404 . . . . 0.0 111.349 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -137.51 134.7 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.341 0.656 . . . . 0.0 109.231 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -155.57 160.8 40.79 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.684 0.675 . . . . 0.0 112.703 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -67.14 146.05 54.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 165.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.67 -31.74 70.97 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.812 0.733 . . . . 0.0 111.98 -173.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -54.59 -44.51 73.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.765 0.826 . . . . 0.0 111.528 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -85.2 -31.77 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.497 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.402 ' HA ' HG12 ' C' ' 51' ' ' ILE . 61.6 t80 -53.91 -37.25 63.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.669 0.788 . . . . 0.0 112.136 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.22 -28.49 70.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.858 -0.526 . . . . 0.0 112.217 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.73 -36.4 70.46 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.517 0.727 . . . . 0.0 111.75 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.9 mm -59.26 -28.52 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.239 0.616 . . . . 0.0 110.276 176.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -98.39 2.06 47.52 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.728 1.211 . . . . 0.0 112.319 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.86 4.06 8.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.4 1.08 . . . . 0.0 113.828 -172.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.74 21.75 1.23 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 123.979 0.8 . . . . 0.0 113.417 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 35.9 mt -81.76 -28.01 33.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.048 0.924 . . . . 0.0 111.794 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p -79.71 -34.43 40.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.961 0.905 . . . . 0.0 111.632 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.14 119.6 4.79 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.54 1.136 . . . . 0.0 109.856 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.88 174.21 4.93 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.026 2.484 . . . . 0.0 113.934 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 124.138 0.975 . . . . 0.0 112.815 -175.289 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.469 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.0 tpp . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.28 115.53 28.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.26 1.424 . . . . 0.0 107.812 167.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.469 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -100.22 124.28 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.863 1.265 . . . . 0.0 108.592 -178.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -109.54 168.13 9.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.909 0.884 . . . . 0.0 109.158 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -125.53 109.83 13.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 168.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -113.55 131.26 56.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.829 -0.545 . . . . 0.0 111.239 -167.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -72.95 152.27 41.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.209 0.528 . . . . 0.0 110.547 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.36 137.97 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.454 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.45 -5.23 85.05 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.298 0.951 . . . . 0.0 114.073 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -85.51 170.91 12.18 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.09 1.445 . . . . 0.0 112.186 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -131.03 163.1 28.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.941 0.897 . . . . 0.0 112.295 -170.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mt -150.32 160.12 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.552 2.341 . . . . 0.0 108.207 -168.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -137.78 152.96 49.7 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 0.0 112.343 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -133.28 138.31 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.9 1.28 . . . . 0.0 108.947 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.51 -135.35 51.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.98 10.02 6.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.014 0.926 . . . . 0.0 112.648 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -129.39 -14.18 4.27 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.54 137.95 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 119.082 0.856 . . . . 0.0 110.98 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 41.6 m -120.03 146.75 45.59 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.641 1.176 . . . . 0.0 109.696 172.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.23 142.72 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.412 1.485 . . . . 0.0 108.006 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.53 130.74 28.54 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -87.9 101.15 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 54.6 mt -75.61 -29.66 59.29 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.205 0.602 . . . . 0.0 111.154 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.26 -172.08 39.14 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 122.969 0.319 . . . . 0.0 112.575 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -111.6 164.82 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 C-N-CA 123.162 0.585 . . . . 0.0 111.07 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -151.74 80.16 1.27 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.089 0.955 . . . . 0.0 109.747 169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.09 -121.79 5.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.474 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -87.6 -11.23 49.18 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.427 0.691 . . . . 0.0 110.69 170.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -79.86 154.83 28.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.053 0.93 . . . . 0.0 111.927 171.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.01 129.65 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.774 1.63 . . . . 0.0 107.329 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -96.36 115.21 27.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.914 0.886 . . . . 0.0 108.654 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -124.8 129.8 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.121 0.568 . . . . 0.0 110.164 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.58 136.83 12.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.075 0.845 . . . . 0.0 111.156 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.48 141.23 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.06 0.944 . . . . 0.0 108.565 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -138.12 89.99 2.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.29 0.636 . . . . 0.0 109.414 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.77 157.07 60.9 Favored Pre-proline 0 N--CA 1.452 -0.373 0 C-N-CA 124.691 1.197 . . . . 0.0 109.88 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.28 150.79 87.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.136 1.891 . . . . 0.0 110.532 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.4 -2.11 7.87 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.08 -23.36 66.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.82 1.248 . . . . 0.0 111.789 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.98 160.03 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.18 0.992 . . . . 0.0 110.961 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.77 156.97 16.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.298 0.639 . . . . 0.0 112.505 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.64 118.63 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.127 0.571 . . . . 0.0 109.957 168.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -148.81 162.25 40.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.505 0.722 . . . . 0.0 111.592 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -62.76 155.51 26.44 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.816 0.446 . . . . 0.0 110.654 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.54 -33.28 74.59 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.975 0.51 . . . . 0.0 111.542 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.77 -27.71 68.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.494 0.717 . . . . 0.0 112.675 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -89.46 -37.36 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.86 1.264 . . . . 0.0 110.726 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -53.39 -40.74 65.28 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.121 0.969 . . . . 0.0 111.041 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -64.08 -25.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.509 0.724 . . . . 0.0 112.918 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.543 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 4.9 ttt180 -77.06 -38.96 51.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.724 0.809 . . . . 0.0 111.222 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 77.9 mt -73.53 -37.62 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 121.142 0.496 . . . . 0.0 109.849 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -78.41 1.91 20.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.002 0.921 . . . . 0.0 111.219 172.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -77.34 -17.54 58.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.692 0.797 . . . . 0.0 112.129 169.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.82 40.46 0.2 Allowed Glycine 0 CA--C 1.526 0.732 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.532 169.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.8 pp -157.07 173.15 17.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.481 1.141 . . . . 0.0 112.513 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -139.18 76.24 1.56 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.137 0.975 . . . . 0.0 109.46 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.38 91.74 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 126.342 1.857 . . . . 0.0 113.889 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.01 165.73 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.301 2.667 . . . . 0.0 114.732 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 124.712 1.205 . . . . 0.0 112.892 -176.042 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -113.77 141.28 47.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.514 0.726 . . . . 0.0 110.077 169.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 mm -126.42 116.2 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.267 1.027 . . . . 0.0 108.345 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.12 151.43 38.3 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.771 1.228 . . . . 0.0 110.089 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.34 109.7 11.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 166.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -121.49 162.14 21.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.396 1.478 . . . . 0.0 109.769 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -117.38 167.13 11.53 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.56 133.87 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.022 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.21 67.7 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.353 0.978 . . . . 0.0 114.759 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -90.39 176.48 6.7 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.314 1.557 . . . . 0.0 112.592 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -137.26 156.76 47.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -136.72 152.69 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.502 1.921 . . . . 0.0 107.906 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -124.99 150.72 46.4 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.565 -0.71 . . . . 0.0 112.721 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.69 138.48 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.853 1.261 . . . . 0.0 108.914 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.43 -140.21 47.26 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.01 9.36 11.83 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.907 0.883 . . . . 0.0 111.77 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -136.59 -7.88 1.93 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -169.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.52 136.55 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 119.166 0.894 . . . . 0.0 110.799 -173.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.6 m -126.38 143.49 51.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.349 1.059 . . . . 0.0 110.303 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -120.39 135.4 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.518 1.527 . . . . 0.0 108.213 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 32.9 m -132.7 133.25 43.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.545 0.738 . . . . 0.0 110.264 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -91.65 99.99 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.65 -32.91 68.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.742 -0.599 . . . . 0.0 110.961 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 -178.99 33.43 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.03 0.347 . . . . 0.0 113.42 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.87 157.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.638 0.775 . . . . 0.0 111.8 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -149.95 90.04 1.65 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.631 1.172 . . . . 0.0 109.305 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -106.35 1.95 Allowed Glycine 0 CA--C 1.524 0.619 0 O-C-N 121.874 -0.517 . . . . 0.0 111.853 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.34 -20.81 16.33 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 117.691 0.745 . . . . 0.0 111.896 169.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -72.67 142.56 48.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.8 115.85 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -86.28 126.57 34.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.42 133.01 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.704 0.802 . . . . 0.0 110.165 -168.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.11 140.81 15.06 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.363 0.982 . . . . 0.0 111.507 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -133.14 124.0 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.549 1.139 . . . . 0.0 108.954 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -123.56 99.27 6.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.982 0.513 . . . . 0.0 109.637 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.61 155.4 73.56 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.5 1.12 . . . . 0.0 110.671 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.83 159.47 37.53 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.938 2.425 . . . . 0.0 112.007 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -69.57 -0.84 7.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.4 0.68 . . . . 0.0 112.762 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.0 -22.79 67.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.569 1.148 . . . . 0.0 111.286 169.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.02 155.05 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.34 1.056 . . . . 0.0 110.655 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.08 155.24 19.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.92 126.9 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.927 0.491 . . . . 0.0 110.299 169.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -150.61 169.89 20.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.265 1.026 . . . . 0.0 109.855 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 31.2 ptt-85 -82.08 166.15 19.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.772 -0.58 . . . . 0.0 110.205 169.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.73 -32.61 69.38 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -169.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.47 -44.05 80.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 112.049 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.14 -32.85 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.996 0.919 . . . . 0.0 110.295 -170.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -50.65 -35.22 29.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.496 1.119 . . . . 0.0 112.516 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -59.96 -21.99 61.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.273 1.029 . . . . 0.0 112.719 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -73.24 -47.82 39.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.52 0.6 . . . . 0.0 109.558 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.493 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.1 mp -64.89 -22.97 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.116 1.366 . . . . 0.0 110.674 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.23 -40.45 16.63 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 169.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.45 -33.26 7.41 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.11 -24.45 1.83 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 124.08 0.847 . . . . 0.0 112.746 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.422 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.3 OUTLIER 65.85 165.65 0.18 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 128.518 2.727 . . . . 0.0 113.558 169.634 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 41.4 p -100.98 -4.54 27.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.908 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.68 134.6 23.68 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 123.992 0.917 . . . . 0.0 109.83 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.89 172.11 3.2 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.21 2.607 . . . . 0.0 113.553 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 124.863 1.265 . . . . 0.0 112.572 179.377 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.12 149.21 21.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.059 -0.401 . . . . 0.0 111.539 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.401 HD11 H5'' ' G' ' 42' ' ' ' C' . 4.1 mp -127.9 133.36 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -126.8 161.9 27.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.791 1.237 . . . . 0.0 109.821 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.09 97.05 4.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 168.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.9 OUTLIER -108.38 142.64 38.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.244 1.018 . . . . 0.0 110.444 -178.106 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -92.16 170.21 10.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -59.54 139.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.314 0.578 . . . . 0.0 112.032 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -4.14 83.04 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.147 0.879 . . . . 0.0 113.855 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -92.22 172.38 8.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.767 1.283 . . . . 0.0 112.645 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 65.8 m -134.8 152.73 51.99 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.887 0.875 . . . . 0.0 112.445 -171.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 29.4 mt -140.24 156.29 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.033 1.733 . . . . 0.0 108.661 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -137.32 147.7 45.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.408 0.683 . . . . 0.0 112.216 -170.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.72 140.83 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.517 1.127 . . . . 0.0 109.213 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.63 -137.54 49.72 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -121.19 9.99 10.57 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.859 0.864 . . . . 0.0 111.89 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -137.43 -14.47 1.49 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -169.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.48 137.19 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 118.982 0.81 . . . . 0.0 110.521 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -132.88 140.73 48.04 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.282 1.033 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -122.51 143.69 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.574 1.55 . . . . 0.0 108.295 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.25 127.97 31.0 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.341 0.656 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.64 112.22 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' F' ' 31' ' ' ARG . 24.2 mt -85.99 -26.66 25.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.95 0.9 . . . . 0.0 110.937 -173.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.6 -173.8 33.68 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.076 0.37 . . . . 0.0 113.77 169.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.09 158.15 38.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 C-N-CA 123.407 0.683 . . . . 0.0 112.321 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 93.21 1.98 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.514 1.126 . . . . 0.0 109.292 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.58 -102.98 1.45 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.822 -0.549 . . . . 0.0 111.986 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -102.65 -14.93 16.51 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.725 0.762 . . . . 0.0 111.836 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -72.45 145.37 47.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.537 0.684 . . . . 0.0 110.013 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.64 110.4 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ARG . . . . . 0.425 ' HG2' HD12 ' F' ' 23' ' ' LEU . 26.0 ttm180 -87.35 126.9 35.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -134.11 134.77 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.91 . . . . 0.0 110.521 -168.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.2 140.57 15.07 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.64 135.87 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.094 0.957 . . . . 0.0 109.11 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -137.1 109.97 7.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.571 0.748 . . . . 0.0 109.552 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.29 157.2 75.96 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.717 0.807 . . . . 0.0 111.479 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.1 162.15 36.9 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.195 2.596 . . . . 0.0 112.507 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.64 -12.15 59.8 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.699 0.8 . . . . 0.0 112.88 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.91 -20.78 66.63 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.992 1.317 . . . . 0.0 112.575 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -126.29 166.74 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.777 0.831 . . . . 0.0 111.1 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.61 157.8 15.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.173 0.589 . . . . 0.0 111.827 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.97 113.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.567 0.747 . . . . 0.0 110.305 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.08 167.03 28.95 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.681 0.792 . . . . 0.0 110.922 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -68.37 154.7 41.28 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 109.61 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.36 -23.67 67.51 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.49 -48.11 75.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.492 1.117 . . . . 0.0 110.99 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -81.9 -32.87 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.088 0.955 . . . . 0.0 110.195 -171.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -53.25 -39.8 64.13 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.07 0.948 . . . . 0.0 112.167 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.67 -24.55 66.81 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.403 0.681 . . . . 0.0 112.58 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.62 -22.9 27.76 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.664 1.186 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.491 ' O ' HD12 ' F' ' 55' ' ' LEU . 35.0 mt -93.82 -24.38 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.837 1.255 . . . . 0.0 110.796 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -85.27 -46.31 11.14 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.11 4.06 22.62 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -167.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 54' ' ' GLY . . . . . 0.463 ' C ' HD22 ' F' ' 55' ' ' LEU . . . -153.35 -20.13 0.05 OUTLIER Glycine 0 CA--C 1.526 0.736 0 CA-C-N 119.283 0.947 . . . . 0.0 112.877 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.491 HD12 ' O ' ' F' ' 51' ' ' ILE . 0.1 OUTLIER 61.29 173.55 0.11 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 130.44 3.496 . . . . 0.0 114.132 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p -78.97 140.28 38.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.33 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 46.59 73.64 0.95 Allowed Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 124.888 1.275 . . . . 0.0 112.672 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.75 -43.99 47.58 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.951 3.101 . . . . 0.0 113.769 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.451 -0.393 0 C-N-CA 123.2 0.6 . . . . 0.0 110.513 -169.131 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 O4'-C1'-N19 111.288 3.088 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.414 3.214 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 1 O4'-C1'-N19 112.577 4.377 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 112.062 3.862 . 0.284 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.715 3.515 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C5'-C4'-O4' 114.057 3.469 . 0.019 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.485 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.986 3.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C3'-C2'-C1' 103.883 2.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 O5'-C5'-C4' 113.347 2.248 . 0.019 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 C3'-C2'-C1' 104.79 3.656 . 0.18 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O5'-C5'-C4' 114.415 3.011 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.516 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 C5'-C4'-C3' 111.436 -2.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 1 C5'-C4'-C3' 108.454 -4.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 99.995 -2.705 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.731 3.531 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 N19-C1'-C2' 109.323 -2.548 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.518 4.318 . 0.101 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 110.471 -3.353 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 2 O4'-C1'-N19 112.688 4.488 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.577 4.377 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 1 O4'-C1'-N19 112.469 4.269 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-O4' 113.045 2.746 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 O4'-C1'-N19 112.693 4.493 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 112.147 3.947 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 N19-C1'-C2' 109.047 -2.721 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 O4'-C1'-N19 111.316 3.116 . 0.4 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.465 -2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.619 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 112.366 -2.089 . 0.068 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-C3' 111.486 -2.676 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 O4'-C1'-N19 111.685 3.485 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 100.089 -2.611 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 110.964 2.764 . 0.483 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.582 4.382 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 C4'-C3'-C2' 99.081 -3.619 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.543 -3.157 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.438 4.238 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 C4'-C3'-C2' 99.694 -3.006 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.446 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 110.944 -3.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.446 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 P-O3'-C3' 122.001 1.917 . 0.113 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 113.142 4.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 1 C5'-C4'-C3' 108.86 -4.426 . 0.047 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . 0.401 H5'' HD11 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 112.888 4.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 O4'-C1'-N19 112.464 4.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.16 3.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.464 4.264 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 111.31 3.11 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.651 3.451 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 C3'-C2'-C1' 105.686 4.651 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C4'-C3'-C2' 100.006 -2.694 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.064 2.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 111.578 -2.615 . 0.42 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.4 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O5'-C5'-C4' 117.225 5.018 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.964 -2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 111.897 3.697 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C5'-C4'-O4' 112.917 2.655 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O4'-C1'-N19 110.993 2.793 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 O4'-C1'-N19 113.266 5.066 . 0.042 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.684 4.484 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 1 O4'-C1'-N19 112.445 4.245 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.473 3.273 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.367 3.167 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 C3'-C2'-C1' 104.702 3.557 . 0.306 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-O4' 114.338 3.67 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 P-O3'-C3' 122.635 2.445 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 111.76 3.56 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 0 C5'-C4'-C3' 110.697 -3.202 . 0.159 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.651 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.412 -3.424 1 C3'-C2'-C1' 97.49 -4.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 100.069 -2.631 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C5'-C4'-C3' 111.588 -2.608 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.211 4.011 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 O4'-C1'-N19 111.347 3.147 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 C3'-C2'-C1' 104.561 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.122 -0.466 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.92 110.3 22.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.683 0.793 . . . . 0.0 109.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.11 132.11 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.761 0.824 . . . . 0.0 108.844 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -130.76 162.18 30.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.34 1.056 . . . . 0.0 109.791 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.7 m -126.23 129.39 48.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.77 162.43 27.44 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.554 0.742 . . . . 0.0 110.097 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -125.18 157.21 37.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.8 t -49.38 119.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 120.72 0.295 . . . . 0.0 110.826 -175.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.24 -5.03 52.15 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.815 1.198 . . . . 0.0 114.603 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -94.71 169.82 9.89 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.951 1.375 . . . . 0.0 112.346 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -139.39 161.11 38.26 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.6 mm -130.6 157.56 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 127.36 2.264 . . . . 0.0 107.918 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -129.95 144.31 51.26 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.607 1.163 . . . . 0.0 110.553 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.97 133.08 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.489 0.715 . . . . 0.0 109.461 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.46 -131.35 38.07 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -123.89 -1.77 8.32 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.04 0.936 . . . . 0.0 112.315 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.32 -15.61 2.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.9 mt -107.8 139.68 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.74 0.7 . . . . 0.0 110.722 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -138.24 140.94 39.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.337 1.055 . . . . 0.0 109.485 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 mm -120.81 144.73 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.726 1.21 . . . . 0.0 108.529 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -138.77 136.16 35.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.464 0.706 . . . . 0.0 110.382 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -86.37 103.35 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.76 -30.43 51.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.104 -0.372 . . . . 0.0 110.484 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.61 -177.63 45.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 169.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 142.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.113 0.965 . . . . 0.0 110.859 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -136.19 68.34 1.44 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.211 1.405 . . . . 0.0 109.759 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.46 -118.14 7.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -80.07 -10.73 59.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.393 0.677 . . . . 0.0 111.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.87 158.87 15.35 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.965 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.19 127.6 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.556 1.542 . . . . 0.0 108.389 -169.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt85 -102.62 103.56 13.87 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.537 0.608 . . . . 0.0 110.73 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -108.59 133.05 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.558 1.543 . . . . 0.0 109.339 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.05 139.62 14.85 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 123.866 0.746 . . . . 0.0 111.647 173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.84 138.36 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.251 1.42 . . . . 0.0 108.45 174.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -126.67 75.01 1.52 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.526 1.13 . . . . 0.0 109.243 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.26 154.07 43.05 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.175 1.39 . . . . 0.0 110.637 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 155.59 57.28 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.489 2.126 . . . . 0.0 110.581 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -67.74 -3.39 9.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -30.96 71.61 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.962 0.905 . . . . 0.0 111.663 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.48 144.03 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 122.079 0.942 . . . . 0.0 111.789 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.05 41.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.547 1.139 . . . . 0.0 111.553 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -129.03 119.66 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' CG ' HD11 ' A' ' 51' ' ' ILE . 98.3 m-70 -148.79 -176.0 5.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.809 0.844 . . . . 0.0 110.594 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -125.29 167.49 14.82 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 170.494 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.32 -29.13 69.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.26 -5.39 41.76 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -120.0 -26.88 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.89 1.276 . . . . 0.0 110.929 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' HA ' HD12 ' A' ' 51' ' ' ILE . 47.3 t80 -63.59 -31.73 72.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.461 -0.774 . . . . 0.0 110.667 -174.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -73.63 -15.78 61.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.916 0.887 . . . . 0.0 111.618 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.56 -35.95 39.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.515 1.126 . . . . 0.0 110.96 169.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' CG ' ' A' ' 43' ' ' HIS . 56.5 mt -64.15 -48.7 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.04 0.936 . . . . 0.0 109.633 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -84.02 5.13 26.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.288 1.035 . . . . 0.0 112.453 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.87 -12.59 61.72 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.35 25.93 4.18 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.89 0.757 . . . . 0.0 113.2 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -114.72 -172.96 2.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.962 1.305 . . . . 0.0 109.491 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.259 1.5 t 54.52 21.79 3.55 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.684 1.593 . . . . 0.0 114.269 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.76 41.53 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.998 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -70.22 -14.87 35.1 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.202 2.601 . . . . 0.0 112.97 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 C-N-CA 122.947 0.499 . . . . 0.0 111.401 -169.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.87 121.32 43.61 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.404 HD11 " H5'" ' G' ' 52' ' ' ' A' . 53.8 mt -116.87 139.52 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.843 0.457 . . . . 0.0 111.743 -165.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.32 132.49 41.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.274 1.03 . . . . 0.0 110.706 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.476 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 57.4 m -89.89 117.92 29.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 168.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' B' ' 10' ' ' GLU . 1.4 tpm_? -128.61 134.17 48.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 0.0 110.167 -168.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -96.77 160.33 14.43 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 118.689 0.677 . . . . 0.0 111.944 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.0 127.58 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.481 0.658 . . . . 0.0 110.835 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.91 -3.6 65.01 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.126 -0.943 . . . . 0.0 114.595 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.407 ' HB2' ' HG3' ' B' ' 6' ' ' ARG . 33.9 mt-10 -82.26 164.97 20.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.906 1.353 . . . . 0.0 111.645 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -128.18 149.01 50.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.344 1.058 . . . . 0.0 111.781 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 18.0 mt -132.27 153.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 126.068 1.747 . . . . 0.0 109.679 -173.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -137.08 140.65 42.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.712 -0.618 . . . . 0.0 111.856 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -134.52 133.27 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.167 0.987 . . . . 0.0 109.719 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.86 -137.73 50.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.94 0.73 10.33 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.664 0.786 . . . . 0.0 112.107 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.56 -16.47 9.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.804 0.842 . . . . 0.0 113.0 -172.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.48 134.15 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.593 0.711 . . . . 0.0 110.86 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -127.0 148.15 50.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.741 1.216 . . . . 0.0 109.531 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -130.15 145.68 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.879 1.672 . . . . 0.0 107.839 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -137.42 131.91 32.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.988 -0.445 . . . . 0.0 110.262 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.67 91.43 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.83 -30.75 71.01 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.735 -0.603 . . . . 0.0 111.51 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.14 -174.48 37.73 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 113.587 0.195 . . . . 0.0 113.587 170.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.07 150.77 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.357 0.663 . . . . 0.0 110.43 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.0 m -132.34 79.56 1.86 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.378 1.071 . . . . 0.0 108.977 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.07 -116.26 4.4 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -175.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.39 8.13 43.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.513 0.725 . . . . 0.0 110.778 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -98.93 154.32 18.15 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.875 1.27 . . . . 0.0 110.136 170.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.2 t -143.54 118.32 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.804 1.242 . . . . 0.0 108.884 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.9 125.05 37.32 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -131.8 131.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.888 0.875 . . . . 0.0 109.979 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.17 139.99 14.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -124.82 130.9 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.87 0.843 . . . . 0.0 109.564 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -133.0 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.536 -168.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.04 157.64 50.12 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.53 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -60.28 155.78 44.21 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 121.738 1.625 . . . . 0.0 109.903 168.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.878 0.871 . . . . 0.0 111.736 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.85 -24.21 66.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.959 1.704 . . . . 0.0 110.955 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.45 144.14 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.531 1.132 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.61 141.4 29.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.518 0.675 . . . . 0.0 111.231 171.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.6 99.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.832 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.92 168.11 21.63 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 122.86 0.464 . . . . 0.0 111.212 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 21.0 ptt-85 -79.26 162.09 25.89 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.805 0.442 . . . . 0.0 112.106 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.1 -43.76 70.68 Favored 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 123.432 0.693 . . . . 0.0 112.244 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.22 -3.85 8.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -107.21 -50.88 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.847 1.259 . . . . 0.0 110.085 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -49.01 -37.77 21.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.814 1.646 . . . . 0.0 112.253 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.8 -24.68 65.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -79.54 -40.52 29.36 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.718 0.69 . . . . 0.0 110.469 171.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.447 ' HA ' HD12 ' B' ' 55' ' ' LEU . 91.4 mt -64.07 -40.24 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -80.15 4.93 15.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.0 -20.53 38.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.127 0.571 . . . . 0.0 111.955 169.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.8 45.67 0.07 OUTLIER Glycine 0 C--N 1.338 0.649 0 CA-C-O 119.431 -0.649 . . . . 0.0 114.663 169.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.97 -176.41 2.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.939 0.87 . . . . 0.0 112.802 -168.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -125.51 -177.75 4.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.341 1.457 . . . . 0.0 109.208 167.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.88 126.09 1.97 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 124.163 0.985 . . . . 0.0 111.826 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -63.71 -176.39 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.575 2.85 . . . . 0.0 113.576 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 124.321 1.049 . . . . 0.0 112.637 174.401 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.08 108.7 17.35 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.14 134.29 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.989 0.916 . . . . 0.0 109.538 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -131.79 135.0 46.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.462 1.105 . . . . 0.0 110.102 170.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.3 p -98.76 139.23 34.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.151 0.58 . . . . 0.0 111.206 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.51 131.46 27.77 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.483 0.713 . . . . 0.0 110.623 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.5 tptm -74.86 156.11 36.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 168.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.51 136.29 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 O-C-N 121.551 -0.718 . . . . 0.0 111.733 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.82 -4.07 84.89 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.557 1.075 . . . . 0.0 114.222 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -86.49 174.83 8.7 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.173 1.487 . . . . 0.0 112.421 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -134.76 158.91 42.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' D' ' 44' ' ' ARG . 30.7 mm -143.23 153.14 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 128.345 2.658 . . . . 0.0 107.789 -172.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -133.19 147.65 52.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.297 -0.877 . . . . 0.0 112.15 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.06 130.61 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.415 1.086 . . . . 0.0 108.939 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -139.12 42.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.23 10.0 9.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.126 0.97 . . . . 0.0 112.005 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.17 -17.69 10.18 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.34 1.056 . . . . 0.0 113.088 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.51 139.74 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 118.842 0.746 . . . . 0.0 111.424 -169.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -128.38 140.7 51.71 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.915 1.286 . . . . 0.0 109.242 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.95 140.41 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.475 1.11 . . . . 0.0 108.441 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -137.74 130.08 29.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.018 -0.426 . . . . 0.0 110.414 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.96 123.94 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -98.55 -38.02 9.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -175.38 45.38 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.209 -0.519 . . . . 0.0 114.103 168.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -122.46 149.39 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.593 0.757 . . . . 0.0 110.589 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -143.0 102.16 3.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.677 1.191 . . . . 0.0 108.645 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.4 -127.62 20.71 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -169.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.51 -0.83 54.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.823 0.849 . . . . 0.0 112.124 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.82 153.44 24.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.847 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' D' ' 30' ' ' VAL . 42.5 t -133.97 123.02 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.95 1.3 . . . . 0.0 108.003 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -86.25 112.33 21.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.55 130.89 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.756 1.223 . . . . 0.0 109.065 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 137.28 13.16 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 124.055 0.836 . . . . 0.0 111.529 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.08 123.19 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.497 1.119 . . . . 0.0 108.609 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.13 93.66 3.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.812 0.445 . . . . 0.0 110.003 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.98 154.36 81.69 Favored Pre-proline 0 N--CA 1.453 -0.301 0 C-N-CA 124.476 1.11 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.61 151.69 74.05 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.506 2.137 . . . . 0.0 110.926 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -65.08 -1.0 1.86 Allowed 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.525 0.73 . . . . 0.0 112.453 172.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.03 -19.81 65.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.831 0.853 . . . . 0.0 111.648 168.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.37 141.33 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.237 1.015 . . . . 0.0 110.303 174.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.74 23.6 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.205 -0.309 . . . . 0.0 111.313 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -137.74 133.57 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.59 . . . . 0.0 110.138 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.44 163.63 38.31 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.826 0.85 . . . . 0.0 111.367 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.74 159.36 19.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 166.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.83 -35.12 68.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -67.38 -26.68 66.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.2 mm -91.77 -37.41 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.454 0.702 . . . . 0.0 110.371 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -51.56 -36.64 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.147 0.979 . . . . 0.0 112.513 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.32 -30.57 66.78 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.396 0.678 . . . . 0.0 111.858 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.413 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -68.24 -20.9 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -92.29 -10.97 36.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.601 0.76 . . . . 0.0 112.461 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.0 -23.52 38.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 112.096 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.69 140.39 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 123.927 0.775 . . . . 0.0 111.448 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 164.01 37.66 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.062 0.945 . . . . 0.0 111.553 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.7 p -102.4 -7.55 21.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.354 1.062 . . . . 0.0 112.524 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.91 91.46 24.56 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 124.177 0.991 . . . . 0.0 110.419 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -67.06 177.67 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.406 2.738 . . . . 0.0 113.137 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.455 -0.192 0 C-N-CA 123.885 0.874 . . . . 0.0 112.675 175.816 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.464 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.785 -0.08 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -113.65 114.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.618 1.567 . . . . 0.0 108.197 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.464 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -99.28 136.7 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.607 1.163 . . . . 0.0 109.461 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.01 142.76 27.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.313 1.445 . . . . 0.0 108.586 -168.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.48 117.37 30.18 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -171.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -124.95 131.89 53.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.735 0.814 . . . . 0.0 111.131 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -76.74 156.23 32.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.676 0.671 . . . . 0.0 110.881 169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.702 HG11 HG12 ' D' ' 25' ' ' VAL . 23.8 m -48.81 137.78 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.943 169.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.99 -3.69 86.81 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.383 0.992 . . . . 0.0 114.121 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -95.46 170.86 9.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.991 1.396 . . . . 0.0 112.068 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -127.42 155.26 43.94 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mt -137.59 160.07 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 127.51 2.324 . . . . 0.0 108.212 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -138.16 149.21 45.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.264 -0.897 . . . . 0.0 111.759 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.89 135.96 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.679 1.192 . . . . 0.0 109.083 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.53 -137.72 49.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.24 7.67 9.69 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.013 0.925 . . . . 0.0 111.824 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.72 -11.5 3.45 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -171.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.02 136.17 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.751 0.705 . . . . 0.0 110.719 -172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 59.7 m -122.46 149.71 43.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.404 1.082 . . . . 0.0 109.938 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -132.15 144.11 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.1 1.76 . . . . 0.0 107.576 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -142.34 132.08 24.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.878 -0.514 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -86.96 90.06 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.22 -36.5 77.85 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.752 0.421 . . . . 0.0 110.687 -172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.43 -175.78 45.52 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-O 121.294 0.385 . . . . 0.0 112.983 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.702 HG12 HG11 ' D' ' 8' ' ' VAL . 10.3 p -124.74 134.21 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.806 1.242 . . . . 0.0 109.807 -177.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.2 m -135.68 89.76 2.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.944 0.898 . . . . 0.0 110.021 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.53 -114.15 5.77 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.458 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -101.52 -2.55 30.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.422 0.689 . . . . 0.0 110.822 173.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.44 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 63.3 mt-30 -76.41 155.27 34.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.528 0.68 . . . . 0.0 111.395 169.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' C' ' 30' ' ' VAL . 76.6 t -129.57 120.85 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 169.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -95.17 102.64 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.529 1.132 . . . . 0.0 108.517 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.19 124.54 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.564 0.745 . . . . 0.0 109.954 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.63 133.05 11.41 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -121.77 139.32 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.814 0.846 . . . . 0.0 108.759 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.07 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.155 0.582 . . . . 0.0 109.76 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.64 156.97 60.75 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.483 1.113 . . . . 0.0 109.815 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -61.67 151.46 80.29 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.082 1.855 . . . . 0.0 110.306 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.18 -0.95 1.92 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.297 0.639 . . . . 0.0 112.423 169.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -65.93 -24.11 66.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.855 1.262 . . . . 0.0 111.062 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.99 159.58 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.673 1.189 . . . . 0.0 110.539 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 157.13 16.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.141 0.577 . . . . 0.0 111.793 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.95 125.35 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.816 -0.552 . . . . 0.0 110.894 169.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -148.09 171.63 15.56 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.87 0.868 . . . . 0.0 111.845 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' C' ' 12' ' ' ILE . 71.4 mtm-85 -71.23 157.27 38.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 169.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.18 -29.1 70.23 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.806 -0.559 . . . . 0.0 111.8 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.49 -25.98 61.62 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.86 0.864 . . . . 0.0 112.801 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -88.05 -38.42 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.504 1.122 . . . . 0.0 110.784 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.47 -40.74 68.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.135 0.974 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.89 -22.09 66.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.502 ' HD3' ' C5 ' ' G' ' 7' ' ' ' C' . 13.3 ttt180 -76.85 -37.06 56.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.724 0.81 . . . . 0.0 111.563 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt -80.4 -40.43 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -77.26 2.1 16.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.184 0.994 . . . . 0.0 111.381 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -66.87 -19.62 65.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.521 0.729 . . . . 0.0 111.091 168.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.62 36.62 0.2 Allowed Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.954 -0.914 . . . . 0.0 114.095 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -159.2 -174.36 4.67 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.83 1.315 . . . . 0.0 113.763 -167.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 25.9 m -126.86 154.44 44.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.841 1.656 . . . . 0.0 107.638 167.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.16 124.84 7.07 Favored Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.5 168.41 13.08 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.121 1.881 . . . . 0.0 114.812 -172.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.843 -177.22 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ttt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.85 106.67 7.86 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 122.898 2.59 . . . . 0.0 109.888 165.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.7 136.62 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.613 1.165 . . . . 0.0 109.919 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.5 165.01 25.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.038 1.735 . . . . 0.0 110.66 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.65 7.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 167.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -115.48 128.52 56.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.997 1.719 . . . . 0.0 109.512 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -93.17 167.58 11.67 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 120.024 1.284 . . . . 0.0 112.589 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -60.82 138.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.588 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.74 84.64 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.132 0.872 . . . . 0.0 113.917 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -95.0 174.79 6.91 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.548 1.174 . . . . 0.0 111.691 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -133.79 157.3 46.25 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -169.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -138.38 159.42 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 126.957 2.103 . . . . 0.0 108.045 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -138.31 150.99 47.16 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.329 -0.857 . . . . 0.0 113.189 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -137.44 138.62 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.746 1.218 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -138.88 48.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.72 10.11 7.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.956 0.902 . . . . 0.0 112.388 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.37 -12.13 5.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.44 135.29 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 119.309 0.959 . . . . 0.0 111.313 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.3 m -124.46 144.24 50.19 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.52 1.128 . . . . 0.0 109.989 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -124.64 139.65 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.164 1.386 . . . . 0.0 108.219 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.32 130.79 39.35 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.968 0.507 . . . . 0.0 110.09 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.26 103.14 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.13 -28.71 57.54 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.085 -0.385 . . . . 0.0 111.144 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -171.46 34.62 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.016 0.341 . . . . 0.0 113.841 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.5 158.85 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.809 0.843 . . . . 0.0 112.309 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.98 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.677 1.191 . . . . 0.0 109.295 168.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.79 -111.9 3.84 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.509 -0.745 . . . . 0.0 111.668 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -92.06 -17.79 24.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.77 0.785 . . . . 0.0 111.488 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.47 143.87 44.46 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.526 0.679 . . . . 0.0 110.049 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.28 112.91 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -85.7 125.79 33.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -133.42 135.1 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.334 0.653 . . . . 0.0 110.31 -169.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.23 143.36 15.65 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.526 1.06 . . . . 0.0 111.691 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -133.18 123.87 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.847 1.259 . . . . 0.0 108.915 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -124.06 99.58 6.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.153 0.581 . . . . 0.0 109.684 -172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.41 155.82 71.89 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.336 1.054 . . . . 0.0 110.455 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.95 159.0 35.7 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.825 2.35 . . . . 0.0 111.949 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -69.09 -0.91 6.46 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.413 0.685 . . . . 0.0 112.575 169.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.01 -23.45 67.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.758 1.223 . . . . 0.0 111.518 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -121.93 156.0 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.329 1.052 . . . . 0.0 110.848 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.11 155.68 17.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.713 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.09 125.09 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.069 0.548 . . . . 0.0 110.044 170.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -150.0 163.45 38.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.861 0.865 . . . . 0.0 110.662 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -69.0 159.56 32.59 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.48 -28.14 69.76 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.054 -0.404 . . . . 0.0 111.403 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.15 -45.08 79.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -83.83 -33.69 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.088 0.955 . . . . 0.0 109.88 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.0 -30.73 60.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.926 0.891 . . . . 0.0 112.63 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -61.6 -21.81 64.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.312 1.045 . . . . 0.0 112.895 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -77.88 -53.54 7.35 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 111.089 169.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -41.05 -63.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.066 0 C-N-CA 127.291 2.236 . . . . 0.0 113.402 -169.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 2.91 31.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.159 0.983 . . . . 0.0 113.074 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.03 -12.12 60.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.124 0.57 . . . . 0.0 112.143 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.02 21.15 0.18 Allowed Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.411 -0.661 . . . . 0.0 113.798 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -102.04 -13.98 17.32 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.245 1.023 . . . . 0.0 112.324 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 24.8 p -64.26 -26.14 68.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.985 0.914 . . . . 0.0 111.899 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.7 130.1 24.77 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 124.784 1.234 . . . . 0.0 109.219 168.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -66.84 -177.79 1.08 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.715 2.277 . . . . 0.0 113.376 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 113.046 -179.12 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.11 147.58 22.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.017 -0.427 . . . . 0.0 111.525 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.07 137.46 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.131 0.973 . . . . 0.0 108.643 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt -136.63 164.97 26.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.402 1.081 . . . . 0.0 109.366 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.22 97.96 4.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 169.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -104.9 162.05 13.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.518 1.127 . . . . 0.0 110.361 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.78 168.57 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -55.32 134.16 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.209 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.39 68.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.422 1.011 . . . . 0.0 114.685 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -91.14 175.44 6.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.06 1.43 . . . . 0.0 112.588 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -136.54 155.56 49.78 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.5 0.72 . . . . 0.0 112.775 -172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 36.7 mt -137.28 152.8 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 126.184 1.794 . . . . 0.0 108.764 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -120.66 148.74 43.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.879 0.872 . . . . 0.0 112.382 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.46 141.02 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.632 1.173 . . . . 0.0 108.758 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -135.25 52.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -120.9 3.95 10.51 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.044 0.938 . . . . 0.0 112.047 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.45 -12.56 1.36 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.4 137.24 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.187 0.903 . . . . 0.0 110.5 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -126.89 142.64 51.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.258 1.023 . . . . 0.0 110.35 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -123.22 134.7 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.46 1.504 . . . . 0.0 108.406 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.09 133.75 44.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.469 0.708 . . . . 0.0 110.051 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -95.39 106.21 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.63 -30.78 41.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.01 -0.431 . . . . 0.0 110.771 -171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 -176.04 34.61 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.037 0.351 . . . . 0.0 113.392 169.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.84 153.0 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.688 0.795 . . . . 0.0 111.853 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -141.91 89.9 2.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.084 1.354 . . . . 0.0 108.884 169.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.26 -103.25 1.05 Allowed Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.936 -0.477 . . . . 0.0 112.025 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -98.73 -22.18 16.02 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 117.567 0.683 . . . . 0.0 112.107 171.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -71.6 141.87 50.0 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 109.905 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -131.66 115.67 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -87.58 120.2 28.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.95 138.7 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.242 1.017 . . . . 0.0 109.564 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.57 16.6 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.904 0.764 . . . . 0.0 111.351 172.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.9 mt -131.84 130.51 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.47 1.108 . . . . 0.0 109.508 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -125.15 107.02 10.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.68 157.8 77.06 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 123.989 0.915 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.09 161.95 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.046 2.498 . . . . 0.0 112.283 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.9 -4.32 12.53 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.58 -24.18 66.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.237 1.415 . . . . 0.0 112.137 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -127.13 164.15 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.257 1.023 . . . . 0.0 110.974 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.33 13.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.087 0.555 . . . . 0.0 111.437 169.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.0 122.53 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.494 0.718 . . . . 0.0 109.831 171.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -153.06 175.28 13.16 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.721 0.808 . . . . 0.0 110.793 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -74.63 161.15 29.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -62.24 -30.45 71.12 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.144 -0.347 . . . . 0.0 111.771 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.02 -40.53 73.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.28 1.032 . . . . 0.0 111.79 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.92 -35.55 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.233 1.013 . . . . 0.0 110.447 -171.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -46.14 -40.55 11.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.696 1.598 . . . . 0.0 112.348 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.35 -22.02 17.62 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.243 1.017 . . . . 0.0 113.289 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.1 -22.9 38.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 111.272 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.524 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.3 mp -95.62 -27.06 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.709 1.203 . . . . 0.0 109.846 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -85.35 -51.53 6.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 170.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.85 -20.65 17.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -164.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.87 -25.97 0.47 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 118.869 0.759 . . . . 0.0 112.434 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.23 158.19 0.12 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 128.866 2.867 . . . . 0.0 113.25 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 41.9 p -93.57 -4.04 51.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.757 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.22 135.07 24.91 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.273 1.029 . . . . 0.0 109.789 169.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -65.52 179.3 1.71 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.903 2.402 . . . . 0.0 114.045 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.643 1.177 . . . . 0.0 112.966 177.051 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 112.181 3.981 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.654 3.454 . 0.328 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.381 4.181 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.44 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 111.792 3.592 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.58 3.38 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-O4' 114.461 3.758 . 0.023 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.502 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 O4'-C1'-N19 112.234 4.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C3'-C2'-C1' 103.868 2.631 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.375 0 O5'-C5'-C4' 113.473 2.338 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 0 C5'-C4'-C3' 109.994 -3.671 . 0.125 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.329 3.129 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-C3' 112.296 -2.136 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 C5'-C4'-C3' 108.392 -4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.315 -2.385 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.855 3.655 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 0 N19-C1'-C2' 109.214 -2.616 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 110.334 -3.444 . 0.586 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 110.963 2.763 . 0.43 2u . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 2 O4'-C1'-N19 114.286 6.086 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.404 4.204 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 1 O4'-C1'-N19 112.239 4.039 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 113.298 2.927 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.719 4.519 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 112.165 3.965 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 N19-C1'-C2' 108.688 -2.945 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 O4'-C1'-N19 111.385 3.185 . 0.61 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C5'-C4'-C3' 111.88 -2.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-C3' 112.219 -2.187 . 0.099 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 112.016 -2.323 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 111.593 3.393 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 100.314 -2.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.04 2.84 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 O4'-C1'-N19 112.293 4.093 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.275 -3.425 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C4'-C3'-C2' 99.571 -3.129 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 112.019 3.819 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 109.569 -3.954 . 0.707 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 O4'-C1'-N19 112.1 3.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C3'-C2'-C1' 103.851 2.612 . 0.317 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 113.505 5.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 C5'-C4'-C3' 108.768 -4.488 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 O4'-C1'-N19 112.316 4.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.592 4.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.081 2.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.525 4.325 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.563 -3.137 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . 0.476 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 112.354 4.154 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 104.951 3.835 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C4'-C3'-C2' 99.483 -3.217 . 0.011 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.27 3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.366 0 C5'-C4'-C3' 111.103 -2.931 . 0.447 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.404 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O5'-C5'-C4' 117.052 4.894 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C5'-C4'-C3' 112.019 -2.32 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 112.136 3.936 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 100.012 -2.688 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 O4'-C1'-N19 110.695 2.495 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 111.019 -2.987 . 0.01 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 2 C3'-C2'-C1' 105.391 4.323 . 0.185 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.335 4.135 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 O4'-C1'-N19 111.444 3.244 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.536 3.336 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.917 3.717 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C5'-C4'-C3' 111.275 -2.817 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C4'-C3'-C2' 98.887 -3.813 . 0.015 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 P-O3'-C3' 122.723 2.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C5'-C4'-C3' 111.073 -2.952 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 2 C5'-C4'-C3' 105.465 -6.69 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 P-O3'-C3' 125.529 4.857 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.131 2.931 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 112.137 3.937 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.375 3.175 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 112.048 3.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 118.983 -0.532 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 113.08 24.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.87 0.868 . . . . 0.0 109.646 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.77 136.31 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.926 0.891 . . . . 0.0 109.537 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.98 159.4 40.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.44 1.096 . . . . 0.0 110.066 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 m -128.02 100.93 6.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.776 0.83 . . . . 0.0 108.9 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -123.6 159.05 30.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.029 0.532 . . . . 0.0 111.11 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -110.0 161.71 15.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.991 0.917 . . . . 0.0 110.764 -168.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.96 123.77 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.859 0.464 . . . . 0.0 110.646 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.51 -2.73 65.23 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.469 1.033 . . . . 0.0 114.089 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -95.89 166.78 11.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.73 1.265 . . . . 0.0 112.139 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -132.9 152.78 51.82 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -168.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 3.5 mm -116.08 157.59 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 126.207 1.803 . . . . 0.0 109.808 169.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.41 136.86 48.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.186 0.995 . . . . 0.0 110.823 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.5 136.17 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.606 1.163 . . . . 0.0 110.05 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.49 -129.81 28.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -125.79 -1.78 7.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.895 0.878 . . . . 0.0 112.338 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -135.91 -18.78 1.58 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -100.96 136.68 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.865 0.757 . . . . 0.0 110.301 -172.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -135.6 144.22 46.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.615 0.766 . . . . 0.0 109.331 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -126.0 142.34 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 108.514 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -136.65 130.57 32.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.012 0.525 . . . . 0.0 110.077 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.33 101.95 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 169.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.22 -30.83 60.7 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.172 -0.33 . . . . 0.0 110.206 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -177.5 42.52 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 113.874 0.309 . . . . 0.0 113.874 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.82 152.98 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.312 1.045 . . . . 0.0 111.084 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -136.71 60.91 1.65 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.452 1.101 . . . . 0.0 109.677 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.59 -120.17 5.3 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.08 -12.63 56.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.513 0.725 . . . . 0.0 111.95 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -99.06 152.99 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.869 0.842 . . . . 0.0 112.0 170.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.19 138.2 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.63 1.972 . . . . 0.0 108.421 -169.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -119.59 104.29 10.16 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.44 136.94 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.824 1.649 . . . . 0.0 109.537 -170.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 139.26 14.69 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.762 0.696 . . . . 0.0 111.614 170.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.72 136.43 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.102 1.361 . . . . 0.0 108.353 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -123.81 74.99 1.31 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.529 1.132 . . . . 0.0 109.267 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.9 153.72 44.39 Favored Pre-proline 0 N--CA 1.453 -0.276 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.702 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.58 153.31 60.1 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.491 2.127 . . . . 0.0 110.569 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -66.49 -7.24 18.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.07 -26.56 66.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.991 0.917 . . . . 0.0 112.25 170.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.36 144.07 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.066 0.936 . . . . 0.0 112.145 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.53 143.04 40.64 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.089 1.355 . . . . 0.0 111.79 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.7 t -129.2 120.97 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.69 172.47 14.01 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.661 0.784 . . . . 0.0 111.468 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.17 159.57 14.86 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.646 0.778 . . . . 0.0 109.852 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.7 -25.79 66.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.068 0.849 . . . . 0.0 112.189 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -75.66 -7.39 54.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.64 -28.65 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 C-N-CA 124.423 1.089 . . . . 0.0 111.273 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -64.76 -31.76 73.13 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.423 -0.798 . . . . 0.0 110.506 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -75.5 -11.72 60.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.197 0.599 . . . . 0.0 111.742 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -33.15 31.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.227 1.011 . . . . 0.0 110.803 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mt -64.09 -53.36 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.931 0.892 . . . . 0.0 108.839 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -84.09 5.07 27.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.657 0.783 . . . . 0.0 112.341 -175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.12 69.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.595 0.358 . . . . 0.0 111.009 168.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.11 18.29 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.013 -0.882 . . . . 0.0 113.521 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 56' ' ' THR . 15.2 mt -94.8 90.65 6.13 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.914 1.357 . . . . 0.0 108.201 -177.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER 168.44 169.31 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 127.124 2.17 . . . . 0.0 108.287 -169.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.69 149.5 46.3 Favored Pre-proline 0 N--CA 1.453 -0.315 0 O-C-N 121.894 -0.504 . . . . 0.0 110.277 168.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.75 159.88 38.19 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.209 2.606 . . . . 0.0 111.821 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 178.4 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -111.35 119.76 39.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.308 1.443 . . . . 0.0 107.19 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD11 " H5'" ' G' ' 52' ' ' ' A' . 62.7 mt -115.56 137.06 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -165.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.6 144.16 37.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.686 1.194 . . . . 0.0 110.863 -170.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.5 m -111.76 125.73 54.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.401 0.68 . . . . 0.0 109.588 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' B' ' 12' ' ' ILE . 6.4 mmp_? -133.24 139.54 47.01 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.484 1.113 . . . . 0.0 111.021 -174.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -81.71 155.4 25.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.904 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.58 130.25 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.11 -5.92 63.57 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.786 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -92.25 162.58 14.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.174 1.487 . . . . 0.0 111.984 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -128.69 156.54 43.32 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' B' ' 6' ' ' ARG . 38.3 mm -141.13 150.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.266 2.226 . . . . 0.0 108.482 -170.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.16 142.61 49.53 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 121.203 -0.936 . . . . 0.0 111.509 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.33 130.16 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.032 0.933 . . . . 0.0 109.659 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.41 50.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -125.04 5.04 7.93 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.869 0.868 . . . . 0.0 112.769 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -115.63 -20.62 10.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.91 136.79 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.003 0.82 . . . . 0.0 111.395 -169.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -130.43 147.65 52.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.008 1.323 . . . . 0.0 109.609 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -130.33 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.679 1.592 . . . . 0.0 108.172 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -135.8 130.98 34.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.782 0.433 . . . . 0.0 110.295 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.73 109.27 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 169.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -80.49 -30.5 37.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.772 -0.58 . . . . 0.0 111.143 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 179.97 36.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 113.424 0.129 . . . . 0.0 113.424 170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.9 151.69 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.359 0.664 . . . . 0.0 110.848 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -132.95 79.47 1.84 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.801 1.24 . . . . 0.0 108.565 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.61 -114.97 4.61 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.97 7.38 39.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.743 0.817 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.89 146.63 25.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.596 1.158 . . . . 0.0 109.357 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.01 119.7 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 109.593 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 120.76 30.74 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.882 1.273 . . . . 0.0 109.469 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.24 133.69 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.11 0.964 . . . . 0.0 109.921 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.28 139.56 14.53 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mt -122.55 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 123.957 0.903 . . . . 0.0 108.815 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -131.84 80.73 1.93 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.532 -167.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.84 157.15 72.52 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.467 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -57.36 153.48 40.43 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.708 1.605 . . . . 0.0 110.399 169.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.596 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.8 mmtm -68.39 -0.62 5.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.103 0.561 . . . . 0.0 111.88 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -29.53 69.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.403 1.481 . . . . 0.0 111.58 172.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -105.21 144.11 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.251 1.02 . . . . 0.0 110.401 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.83 28.38 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.722 0.772 . . . . 0.0 111.33 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.76 95.75 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 -166.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.49 157.52 44.66 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.755 -0.59 . . . . 0.0 111.29 176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.8 ptt-85 -67.41 155.76 38.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.537 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -54.39 -41.1 68.86 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.36 0.664 . . . . 0.0 112.479 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.73 -23.17 67.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -87.32 -50.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.215 1.006 . . . . 0.0 110.414 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -51.32 -35.9 40.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.663 1.185 . . . . 0.0 112.043 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.37 -21.06 62.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.69 -37.18 27.8 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.373 0.988 . . . . 0.0 110.62 169.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -41.67 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -79.35 5.09 13.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.77 -20.74 41.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.009 0.523 . . . . 0.0 111.896 169.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.97 46.16 0.06 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-O 119.347 -0.696 . . . . 0.0 114.679 168.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.0 -176.18 2.56 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.022 0.911 . . . . 0.0 112.894 -168.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 9.3 m -122.71 170.56 9.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.309 1.444 . . . . 0.0 108.537 168.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.96 118.77 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.078 1.351 . . . . 0.0 111.891 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 48.6 Cg_exo -66.19 176.46 3.9 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.595 2.197 . . . . 0.0 113.311 -170.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.108 0.963 . . . . 0.0 112.544 177.608 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.37 108.7 19.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 166.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.57 135.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.837 0.855 . . . . 0.0 109.842 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -128.78 134.97 48.56 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.761 0.824 . . . . 0.0 109.487 168.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -92.66 144.76 25.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 110.094 169.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.406 HH11 ' HB2' ' C' ' 6' ' ' ARG . 1.5 mtp-105 -146.08 164.0 33.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 171.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.7 tptm -100.36 155.54 17.74 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.934 0.894 . . . . 0.0 109.369 170.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.74 134.18 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 118.189 0.45 . . . . 0.0 111.596 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.85 -7.07 64.88 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.946 1.26 . . . . 0.0 114.743 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.12 175.31 6.99 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.342 1.571 . . . . 0.0 112.976 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -128.52 153.04 47.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.6 156.83 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.547 2.339 . . . . 0.0 108.392 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -125.3 148.84 48.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.887 0.875 . . . . 0.0 111.91 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.22 131.8 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.543 1.137 . . . . 0.0 108.721 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.09 -138.22 43.11 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -170.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -122.19 9.91 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.184 0.993 . . . . 0.0 111.947 169.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -118.48 -17.71 9.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.366 1.066 . . . . 0.0 113.223 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.42 140.87 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.774 0.715 . . . . 0.0 111.099 -169.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -129.11 140.8 51.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.758 1.223 . . . . 0.0 109.395 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -119.27 135.61 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.829 1.252 . . . . 0.0 108.737 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -128.89 133.56 47.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.335 0.654 . . . . 0.0 109.79 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 tp -94.7 126.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.54 -38.98 7.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -171.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.46 -173.53 44.9 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.846 168.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.28 155.06 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -144.44 102.94 3.9 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.552 1.141 . . . . 0.0 108.965 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.91 -119.49 15.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -171.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.43 -0.56 43.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.087 0.955 . . . . 0.0 111.843 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 23.5 mt-30 -88.56 155.23 19.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.647 0.737 . . . . 0.0 111.66 173.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.57 122.64 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.086 1.354 . . . . 0.0 108.266 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -84.26 113.72 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 mt -118.05 132.26 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.358 1.463 . . . . 0.0 109.511 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.55 140.23 15.01 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.315 0.959 . . . . 0.0 111.949 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.14 127.93 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.582 1.153 . . . . 0.0 108.384 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -128.33 95.13 4.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.082 -0.386 . . . . 0.0 110.247 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.92 157.23 78.25 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 124.654 1.181 . . . . 0.0 110.254 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.21 151.22 83.43 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.522 2.148 . . . . 0.0 111.01 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.28 -0.99 2.91 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.265 0.626 . . . . 0.0 112.645 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.88 -22.24 66.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.321 1.048 . . . . 0.0 111.508 169.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.62 147.14 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.113 0.965 . . . . 0.0 110.406 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.58 156.76 20.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.594 0.358 . . . . 0.0 111.393 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -137.78 131.61 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.182 0.593 . . . . 0.0 109.817 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -155.1 164.24 39.14 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.365 0.666 . . . . 0.0 111.788 -174.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -75.56 157.29 34.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 166.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.78 -35.81 77.37 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.591 0.632 . . . . 0.0 111.69 -175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.68 -17.58 61.63 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.56 -36.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.672 0.789 . . . . 0.0 110.616 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -52.63 -34.83 53.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.087 1.355 . . . . 0.0 112.5 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -59.49 -29.46 67.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.768 0.827 . . . . 0.0 112.428 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.09 -36.56 77.72 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.637 0.775 . . . . 0.0 111.816 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.537 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.7 mp -69.8 -19.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 O-C-N 121.927 -0.483 . . . . 0.0 109.808 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -90.84 -1.07 57.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.189 0.596 . . . . 0.0 112.119 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.22 -23.34 16.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.405 1.082 . . . . 0.0 112.767 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.01 131.18 3.68 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -175.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.7 mm? -102.46 -20.38 14.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.314 0.646 . . . . 0.0 112.315 -169.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 58.02 17.8 4.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.15 1.38 . . . . 0.0 112.792 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.04 96.79 2.29 Favored Pre-proline 0 N--CA 1.454 -0.259 0 C-N-CA 124.263 1.025 . . . . 0.0 109.97 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.2 145.48 88.98 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.057 2.505 . . . . 0.0 112.242 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 125.758 1.623 . . . . 0.0 114.112 175.359 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.475 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.2 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -116.21 115.23 25.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.202 1.801 . . . . 0.0 106.867 166.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -100.43 134.99 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 109.429 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 55.1 mt -123.66 171.15 9.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.153 1.381 . . . . 0.0 110.12 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.64 109.88 8.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.04 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.35 148.92 45.54 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.784 0.834 . . . . 0.0 110.822 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 14.2 mmtp -76.96 160.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.207 0.527 . . . . 0.0 111.561 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.88 138.69 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.41 0.684 . . . . 0.0 111.345 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.34 -4.97 85.84 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.16 0.886 . . . . 0.0 113.917 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.99 167.6 13.56 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.952 1.376 . . . . 0.0 112.463 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.03 154.45 44.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.831 0.852 . . . . 0.0 112.4 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -144.27 160.57 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 127.466 2.307 . . . . 0.0 107.973 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -139.88 152.27 46.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.223 -0.923 . . . . 0.0 112.71 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.07 138.75 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.039 1.335 . . . . 0.0 109.001 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.02 -136.05 50.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.92 10.03 8.21 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.316 1.046 . . . . 0.0 111.573 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -134.41 -11.88 2.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -170.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.43 137.06 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.788 0.722 . . . . 0.0 110.559 -172.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 46.5 m -120.25 145.48 46.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.396 1.078 . . . . 0.0 109.924 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -127.07 139.12 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.532 1.533 . . . . 0.0 107.843 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 9.4 m -136.01 128.13 29.8 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.63 105.25 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.28 -30.29 48.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.126 0.57 . . . . 0.0 110.59 -173.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.56 -172.11 39.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 169.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -111.75 161.02 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.492 0.717 . . . . 0.0 110.745 169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -144.63 77.06 1.52 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.594 0.758 . . . . 0.0 109.711 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.47 -114.44 3.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -174.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.8 mp0 -95.64 -1.29 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.401 0.68 . . . . 0.0 110.179 171.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.38 154.63 34.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.461 0.648 . . . . 0.0 112.363 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.19 120.99 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.716 1.606 . . . . 0.0 107.205 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -95.68 114.64 26.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.454 1.102 . . . . 0.0 108.58 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.03 129.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.217 0.607 . . . . 0.0 110.409 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.22 136.77 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.74 140.74 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 171.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -137.98 90.88 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.233 0.613 . . . . 0.0 109.543 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.91 156.73 65.17 Favored Pre-proline 0 N--CA 1.452 -0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.139 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.72 152.01 83.56 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.392 2.061 . . . . 0.0 110.535 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -69.95 -1.03 8.47 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.85 -22.23 65.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.616 1.166 . . . . 0.0 111.308 168.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -126.19 160.08 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.401 1.08 . . . . 0.0 110.657 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.68 157.02 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.053 0.541 . . . . 0.0 112.075 -175.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.8 124.08 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 122.844 0.458 . . . . 0.0 110.501 169.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.71 161.25 42.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.354 0.662 . . . . 0.0 112.291 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -64.86 156.0 32.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.698 0.399 . . . . 0.0 109.999 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.02 -33.14 70.4 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.031 0.532 . . . . 0.0 111.957 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.12 -47.62 85.13 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.055 0.942 . . . . 0.0 111.641 172.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -74.26 -39.5 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 124.29 1.036 . . . . 0.0 110.305 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -51.53 -38.46 54.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.4 -24.25 62.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.92 -36.36 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.283 0.947 . . . . 0.0 110.176 170.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -81.94 -41.35 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -76.21 1.96 14.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.095 0.558 . . . . 0.0 111.724 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.68 -15.1 62.47 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 168.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.46 33.62 0.48 Allowed Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.965 -0.908 . . . . 0.0 114.271 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.26 -169.16 1.9 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.74 1.27 . . . . 0.0 113.291 -167.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 19.7 p -128.07 163.06 25.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.915 1.686 . . . . 0.0 108.667 166.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.12 129.89 23.29 Favored Pre-proline 0 N--CA 1.454 -0.248 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -168.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -65.53 176.76 3.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.964 2.443 . . . . 0.0 114.193 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.453 -0.323 0 C-N-CA 124.538 1.135 . . . . 0.0 112.458 177.098 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ttt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt -86.77 116.07 24.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.38 0.991 . . . . 0.0 110.59 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.88 140.22 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.825 1.25 . . . . 0.0 109.59 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -137.86 160.33 39.57 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.159 1.383 . . . . 0.0 111.221 -171.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.79 100.7 4.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 166.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.6 mmp_? -117.77 143.16 46.5 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 124.61 1.164 . . . . 0.0 112.167 -168.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -85.45 159.17 20.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.745 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -59.21 135.54 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 111.257 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -7.89 77.64 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.204 0.907 . . . . 0.0 114.44 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.33 164.65 16.14 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.075 1.438 . . . . 0.0 111.913 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -136.26 152.73 51.03 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.414 HD11 ' CD ' ' E' ' 6' ' ' ARG . 45.1 mm -137.94 150.96 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 126.972 2.109 . . . . 0.0 108.156 -170.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -132.05 144.37 50.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.335 -0.853 . . . . 0.0 112.009 -169.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -134.4 139.7 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.59 1.156 . . . . 0.0 109.207 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.04 -134.42 52.4 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.43 9.66 7.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.648 0.779 . . . . 0.0 111.54 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -136.49 -8.52 1.94 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.45 134.86 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.947 0.794 . . . . 0.0 110.506 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -128.54 142.42 51.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.008 0.923 . . . . 0.0 110.459 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -120.37 140.48 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.722 1.609 . . . . 0.0 108.092 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -137.59 126.15 23.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.12 0.568 . . . . 0.0 109.997 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -75.45 111.13 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 169.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.51 -35.08 53.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.158 -0.339 . . . . 0.0 110.147 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 178.5 31.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.077 0.37 . . . . 0.0 113.388 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.46 156.94 6.95 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 123.539 0.735 . . . . 0.0 111.909 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.6 89.93 1.74 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.5 1.12 . . . . 0.0 109.521 169.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 -109.45 2.88 Favored Glycine 0 CA--C 1.525 0.679 0 O-C-N 121.698 -0.627 . . . . 0.0 111.765 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -95.0 -22.29 18.04 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.61 0.705 . . . . 0.0 111.776 171.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -73.28 146.11 45.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.344 0.592 . . . . 0.0 110.199 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.82 116.01 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -89.65 123.69 33.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.49 126.9 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.97 0.908 . . . . 0.0 110.191 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.04 142.1 16.68 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.077 0.846 . . . . 0.0 111.55 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -134.49 123.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.019 1.327 . . . . 0.0 108.779 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -125.14 99.93 6.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.065 0.546 . . . . 0.0 109.556 -170.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.32 155.55 73.97 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 124.476 1.11 . . . . 0.0 110.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.86 158.62 46.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.161 2.574 . . . . 0.0 112.148 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -72.48 -0.88 13.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 172.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.82 -21.62 66.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.289 1.036 . . . . 0.0 111.514 169.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -124.19 159.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.168 0.987 . . . . 0.0 110.705 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.53 155.99 16.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.08 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 42' ' ' VAL . . . . . 0.402 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.83 125.26 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.984 0.514 . . . . 0.0 110.273 169.336 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -151.42 169.41 22.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.58 1.152 . . . . 0.0 109.589 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 29.6 ptt-85 -78.5 166.46 22.57 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.622 -0.674 . . . . 0.0 110.523 169.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.41 -26.06 68.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.14 -48.97 79.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.046 0.938 . . . . 0.0 111.888 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -79.79 -32.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.716 0.806 . . . . 0.0 109.878 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.1 -34.71 63.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.404 1.082 . . . . 0.0 112.824 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.45 -25.15 65.75 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.475 0.71 . . . . 0.0 112.436 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -72.52 -22.88 60.97 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.662 0.785 . . . . 0.0 110.679 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 82.3 mt -96.13 -48.18 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.012 0.925 . . . . 0.0 109.494 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -71.29 3.03 3.99 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.26 67.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.701 0.8 . . . . 0.0 112.269 169.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.39 29.62 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.304 -0.72 . . . . 0.0 114.681 169.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.54 178.91 9.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.376 1.088 . . . . 0.0 111.859 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.36 -0.13 3.66 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.329 0.651 . . . . 0.0 112.036 170.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.94 131.48 16.82 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 123.881 0.872 . . . . 0.0 110.079 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -63.79 179.92 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.285 2.656 . . . . 0.0 113.856 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.203 1.001 . . . . 0.0 112.819 -173.875 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 2' ' ' LEU . . . . . 0.402 HD12 HG13 ' E' ' 42' ' ' VAL . 7.8 mt -93.5 150.91 20.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.881 -0.512 . . . . 0.0 111.55 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.36 124.84 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.44 152.04 29.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.458 1.503 . . . . 0.0 109.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 106.78 12.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 54.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.092 1.357 . . . . 0.0 110.002 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.11 165.13 13.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.33 0.968 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.54 136.1 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.294 -169.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.89 76.7 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.297 0.951 . . . . 0.0 114.109 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.69 172.16 7.88 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.628 1.214 . . . . 0.0 111.693 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -134.57 157.31 46.89 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 54.1 mt -136.41 154.74 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 126.256 1.822 . . . . 0.0 108.735 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.21 148.02 51.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.802 0.841 . . . . 0.0 111.828 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -135.14 140.21 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.386 1.074 . . . . 0.0 109.193 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.38 -138.01 49.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.82 9.88 11.46 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.927 0.891 . . . . 0.0 111.706 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.82 -14.86 1.05 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.6 138.96 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.328 0.967 . . . . 0.0 110.706 -172.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -128.63 141.01 51.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.031 0.933 . . . . 0.0 110.53 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -120.34 140.53 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.669 1.588 . . . . 0.0 108.203 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -133.8 128.45 34.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.039 0.536 . . . . 0.0 109.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.13 106.2 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 169.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.29 -28.62 42.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.426 0.69 . . . . 0.0 110.897 -173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.84 -172.16 35.6 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.318 0.485 . . . . 0.0 112.871 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.01 149.3 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.365 0.666 . . . . 0.0 111.194 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -139.24 89.91 2.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.774 1.23 . . . . 0.0 108.534 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.85 -124.49 34.33 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -172.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -79.14 -18.36 53.3 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.08 143.88 33.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.375 0.607 . . . . 0.0 110.36 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 76.0 t -131.73 121.01 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm105 -91.61 124.7 35.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.957 0.903 . . . . 0.0 109.026 -172.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.68 146.41 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.697 0.799 . . . . 0.0 110.527 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.81 143.69 15.93 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.953 0.787 . . . . 0.0 111.455 172.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.62 129.63 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 109.651 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -124.53 109.39 13.17 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 157.2 74.73 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 123.739 0.816 . . . . 0.0 111.328 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.52 161.87 36.47 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.064 2.509 . . . . 0.0 112.369 172.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.32 -4.31 10.45 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.416 0.686 . . . . 0.0 112.749 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -24.4 66.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.338 1.455 . . . . 0.0 112.333 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -124.0 164.3 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.928 0.891 . . . . 0.0 111.268 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.19 15.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.305 0.642 . . . . 0.0 111.226 169.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.06 125.5 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.051 0.54 . . . . 0.0 110.406 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -154.1 171.6 18.85 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 110.944 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -82.16 161.92 22.62 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.102 -0.374 . . . . 0.0 109.999 167.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -18.69 65.51 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -170.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.97 -41.6 87.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.54 0.736 . . . . 0.0 111.231 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -88.72 -36.11 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.778 0.831 . . . . 0.0 109.924 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.24 -30.5 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.589 0.756 . . . . 0.0 112.629 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.88 -21.72 61.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.76 1.224 . . . . 0.0 112.946 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.94 -51.05 11.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.283 0.633 . . . . 0.0 111.551 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.32 -63.0 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 127.055 2.142 . . . . 0.0 113.773 -168.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -0.56 25.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.727 0.811 . . . . 0.0 113.185 -172.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.08 -19.91 60.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.922 -0.486 . . . . 0.0 111.892 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.09 37.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.524 -0.598 . . . . 0.0 113.37 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.84 -163.02 0.99 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.447 1.099 . . . . 0.0 109.686 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 28.2 p 60.64 -4.6 0.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 127.07 2.148 . . . . 0.0 114.648 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.72 88.59 9.51 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 124.877 1.271 . . . . 0.0 109.833 170.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -65.01 -176.53 0.47 Allowed 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.516 2.811 . . . . 0.0 112.508 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.216 0 C-N-CA 124.146 0.978 . . . . 0.0 112.469 173.908 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 O4'-C1'-N19 111.604 3.404 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.507 3.307 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 112.203 4.003 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 C5'-C4'-O4' 114.113 3.509 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 C5'-C4'-C3' 109.278 -4.148 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 0 C4'-C3'-C2' 98.781 -3.919 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 1 C5'-C4'-C3' 108.624 -4.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C3'-C2'-C1' 103.873 2.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.369 0 P-O3'-C3' 122.145 2.038 . 0.014 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 C5'-C4'-C3' 110.262 -3.492 . 0.14 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.26 3.06 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.413 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 C5'-C4'-C3' 112.05 -2.3 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 C5'-C4'-C3' 108.506 -4.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C4'-C3'-C2' 100.497 -2.203 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 111.841 3.641 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O4'-C1'-N19 110.864 2.664 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 112.593 4.393 . 0.521 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.451 3.251 . 0.733 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 O4'-C1'-N19 113.419 5.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.568 4.368 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 1 O4'-C1'-N19 112.461 4.261 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C5'-C4'-O4' 113.299 2.928 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 O4'-C1'-N19 112.545 4.345 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.065 3.865 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 N19-C1'-C2' 108.626 -2.984 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C4'-C3'-C2' 98.713 -3.987 . 0.551 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.516 " H2'" ' N3 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 C5'-C4'-C3' 106.17 -6.22 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.596 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 111.323 -2.785 . 0.204 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 C5'-C4'-C3' 111.432 -2.712 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 0 O4'-C1'-N19 111.023 2.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C4'-C3'-C2' 100.401 -2.299 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.163 2.963 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.413 4.213 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C4'-C3'-C2' 99.224 -3.476 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.491 -3.209 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 1 O4'-C1'-N19 112.248 4.048 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 O4'-C1'-N19 113.031 4.831 . 0.06 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.467 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 111.596 -2.603 . 0.302 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.467 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.13 2.922 . 0.089 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 1 O4'-C1'-N19 112.66 4.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 1 C5'-C4'-C3' 108.846 -4.436 . 0.039 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 1 O4'-C1'-N19 112.362 4.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 110.618 -3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 111.717 3.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 O4'-C1'-N19 112.284 4.084 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.308 3.108 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 0 O4'-C1'-N19 111.609 3.409 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 C3'-C2'-C1' 105.453 4.392 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 99.835 -2.865 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.269 3.069 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C5'-C4'-C3' 111.21 -2.86 . 0.443 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.407 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O5'-C5'-C4' 117.383 5.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 C5'-C4'-C3' 112.378 -2.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.241 4.041 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C4'-C3'-C2' 100.286 -2.414 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 110.687 2.487 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 110.307 -3.462 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 O4'-C4'-C3' 108.139 1.885 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.898 3.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 O4'-C1'-N19 111.587 3.387 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 0 O4'-C1'-N19 111.464 3.264 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C3'-C2'-C1' 104.369 3.187 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.464 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 C5'-C4'-C3' 109.471 -4.019 . 0.297 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.464 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C4'-C3'-C2' 100.114 -2.586 . 0.094 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 110.819 2.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 0 C5'-C4'-C3' 111.373 -2.751 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 2 C5'-C4'-C3' 105.958 -6.361 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 1 P-O3'-C3' 125.659 4.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.682 2.482 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 112.065 3.865 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.408 3.208 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 O4'-C1'-N19 113.056 4.856 . 0.351 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 108.63 21.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.579 0.751 . . . . 0.0 109.493 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.76 135.23 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.629 0.772 . . . . 0.0 109.204 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -133.36 159.17 41.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.59 1.156 . . . . 0.0 109.652 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.5 m -122.74 100.96 7.18 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -95.94 166.65 11.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.922 0.489 . . . . 0.0 110.365 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -129.1 157.0 42.99 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.66 121.25 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.939 0.495 . . . . 0.0 110.945 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.91 -4.84 57.76 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.755 1.169 . . . . 0.0 114.647 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -92.75 165.57 12.88 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.909 1.354 . . . . 0.0 112.034 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -137.31 149.39 47.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -169.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 24.8 mm -113.2 153.79 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 125.848 1.659 . . . . 0.0 109.548 169.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -125.69 138.11 53.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.559 1.144 . . . . 0.0 109.831 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -132.9 131.57 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.134 0.973 . . . . 0.0 109.532 -171.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.05 -127.03 27.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.0 0.76 5.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.704 0.802 . . . . 0.0 112.353 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -135.05 -21.27 1.65 Allowed 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 mt -102.28 138.89 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.407 0.683 . . . . 0.0 110.36 -170.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -135.25 145.28 47.44 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.774 0.829 . . . . 0.0 109.663 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.87 141.09 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.822 1.249 . . . . 0.0 108.334 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -139.53 135.96 34.0 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.498 0.59 . . . . 0.0 110.316 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -85.22 99.82 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -25.15 58.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.723 -0.611 . . . . 0.0 110.719 -175.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.22 42.36 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 118.148 0.431 . . . . 0.0 113.853 169.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -130.58 155.23 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.044 0.938 . . . . 0.0 111.685 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -141.6 65.71 1.37 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.893 1.277 . . . . 0.0 109.996 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.22 -119.98 5.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -80.82 -4.41 54.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.194 0.598 . . . . 0.0 111.786 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -99.22 159.93 14.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.88 0.848 . . . . 0.0 112.745 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.78 128.36 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.0 1.72 . . . . 0.0 108.441 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -104.67 101.96 11.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.068 0.947 . . . . 0.0 110.397 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -108.2 130.48 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.184 1.394 . . . . 0.0 109.386 -174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.39 141.27 15.24 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.709 0.671 . . . . 0.0 111.599 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 mt -120.99 131.23 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.317 1.447 . . . . 0.0 108.025 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.23 74.99 1.27 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.23 1.014 . . . . 0.0 109.261 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.79 153.45 39.29 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.837 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.67 154.22 59.54 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.505 2.136 . . . . 0.0 110.509 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -68.11 -5.97 20.55 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -67.36 -25.6 66.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.984 0.914 . . . . 0.0 112.146 169.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -117.24 144.04 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.013 0.911 . . . . 0.0 111.909 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.84 143.07 44.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.392 1.077 . . . . 0.0 111.46 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.15 120.16 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.033 0.533 . . . . 0.0 109.699 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.547 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.6 m-70 -148.66 -175.92 5.12 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.847 0.859 . . . . 0.0 110.699 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -124.89 170.1 11.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 170.349 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -59.7 -39.49 84.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -71.36 -6.53 40.8 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.91 -28.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 110.869 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -64.11 -31.91 73.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -74.4 -15.31 60.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.791 0.837 . . . . 0.0 111.671 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -77.9 -33.23 51.98 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.044 0.938 . . . . 0.0 111.083 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.547 HD11 ' CD2' ' A' ' 43' ' ' HIS . 20.5 mt -64.19 -53.28 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.75 0.82 . . . . 0.0 109.019 172.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -84.08 5.08 27.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.822 0.849 . . . . 0.0 112.269 -173.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -28.69 67.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.996 0.518 . . . . 0.0 110.957 168.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.82 10.05 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.16 -0.8 . . . . 0.0 113.637 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 56' ' ' THR . 20.8 mt -85.54 90.66 8.03 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.848 1.324 . . . . 0.0 108.554 -172.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 55' ' ' LEU . 2.6 p 174.97 -40.79 0.01 OUTLIER 'General case' 0 C--O 1.231 0.095 0 C-N-CA 126.773 2.029 . . . . 0.0 108.125 -169.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.92 158.99 30.67 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 125.54 1.536 . . . . 0.0 111.707 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -73.88 163.56 36.72 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.488 2.792 . . . . 0.0 112.558 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 N--CA 1.452 -0.366 0 C-N-CA 124.958 1.303 . . . . 0.0 111.744 177.344 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.18 121.98 41.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 107.133 169.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.68 139.83 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.903 0.481 . . . . 0.0 111.675 -165.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.07 140.33 46.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.578 1.151 . . . . 0.0 110.587 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -116.82 102.94 9.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -128.23 159.19 36.0 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.216 1.006 . . . . 0.0 110.828 -169.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -91.88 165.93 12.99 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.82 135.96 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.238 0.542 . . . . 0.0 110.819 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.06 78.73 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.138 -0.812 . . . . 0.0 114.42 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.77 158.16 25.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 119.104 1.452 . . . . 0.0 112.232 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -125.7 144.75 50.47 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.422 1.089 . . . . 0.0 111.37 -173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 14.1 mt -136.7 153.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.51 1.524 . . . . 0.0 109.57 -169.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -137.31 140.56 41.61 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.696 -0.628 . . . . 0.0 112.378 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.72 132.43 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 124.169 0.988 . . . . 0.0 109.802 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.74 -139.41 48.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -119.05 0.83 11.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.35 -20.32 9.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.542 0.737 . . . . 0.0 112.962 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.1 135.08 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-O 121.685 0.755 . . . . 0.0 110.952 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -130.66 149.19 52.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.76 1.224 . . . . 0.0 109.652 170.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -128.86 141.91 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.98 1.712 . . . . 0.0 108.014 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.41 127.93 32.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.76 0.424 . . . . 0.0 109.994 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -81.92 105.95 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.4 -30.9 57.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.943 -0.473 . . . . 0.0 110.946 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.87 -179.24 35.56 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 113.287 0.075 . . . . 0.0 113.287 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.03 149.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.065 0.546 . . . . 0.0 110.676 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.4 t -132.0 74.76 1.6 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.48 1.112 . . . . 0.0 108.444 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -117.81 4.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -173.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.13 8.9 44.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.909 0.484 . . . . 0.0 110.741 175.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.93 156.7 16.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.149 0.979 . . . . 0.0 110.33 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.01 113.23 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.703 1.201 . . . . 0.0 108.944 -168.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 120.86 29.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.545 1.138 . . . . 0.0 109.649 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.35 131.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.29 1.036 . . . . 0.0 109.967 -169.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.94 138.79 14.23 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.97 132.3 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.912 0.863 . . . . 0.0 109.314 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -131.33 79.68 1.9 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.388 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.13 156.27 72.33 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.744 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -57.84 155.35 33.2 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 121.697 1.598 . . . . 0.0 110.75 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.613 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.8 mmtm -71.7 -0.69 11.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.971 -0.456 . . . . 0.0 112.057 171.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -25.82 67.31 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.158 1.383 . . . . 0.0 112.128 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.6 144.17 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.98 0.912 . . . . 0.0 110.528 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 142.49 28.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.511 0.672 . . . . 0.0 111.737 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.51 98.2 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.701 -166.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.48 158.33 43.94 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.865 -0.522 . . . . 0.0 111.968 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.3 ptt-85 -63.14 156.51 24.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.855 0.462 . . . . 0.0 111.27 169.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -39.33 73.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -173.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.93 -6.21 26.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.13 -50.93 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.941 0.896 . . . . 0.0 110.027 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -50.74 -36.89 38.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.647 1.179 . . . . 0.0 112.066 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.26 -21.59 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -78.99 -42.12 27.41 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.041 0.837 . . . . 0.0 110.3 169.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' B' ' 55' ' ' LEU . 96.7 mt -63.52 -38.89 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -81.49 5.07 18.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.8 -20.02 39.99 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 111.734 169.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 47.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.596 0 C-N-CA 123.467 0.556 . . . . 0.0 114.209 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.01 -176.4 2.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.614 0.707 . . . . 0.0 112.504 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.5 p -128.13 -177.88 4.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.029 1.332 . . . . 0.0 109.397 167.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 125.27 1.73 Allowed Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 124.217 1.007 . . . . 0.0 111.69 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.14 153.6 12.31 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.979 3.119 . . . . 0.0 113.15 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 169.727 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.3 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 105.9 15.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.426 1.09 . . . . 0.0 108.43 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.75 132.75 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.549 0.74 . . . . 0.0 109.22 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.92 134.95 51.4 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.494 0.718 . . . . 0.0 109.329 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -89.91 140.78 29.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.919 0.488 . . . . 0.0 110.025 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -146.11 124.01 12.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.555 -0.26 . . . . 0.0 110.558 -175.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.5 tptm -75.51 152.09 37.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.93 136.67 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 O-C-N 121.813 -0.555 . . . . 0.0 111.991 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.69 -4.26 83.58 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.764 1.173 . . . . 0.0 114.25 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -91.11 171.55 9.18 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.229 1.514 . . . . 0.0 111.975 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -128.91 158.12 39.69 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -167.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -139.8 160.04 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 127.907 2.483 . . . . 0.0 108.569 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.55 149.12 52.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.206 1.002 . . . . 0.0 112.475 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.64 143.43 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.811 1.244 . . . . 0.0 109.034 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 -142.34 42.86 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 123.955 0.788 . . . . 0.0 111.847 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -115.95 7.58 14.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.081 0.952 . . . . 0.0 111.285 169.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -131.76 -11.47 3.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -168.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.28 138.99 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.953 0.797 . . . . 0.0 111.231 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.8 m -124.46 138.06 54.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 109.333 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mm -118.16 137.02 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.566 1.146 . . . . 0.0 108.348 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -132.82 127.95 35.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.11 -0.369 . . . . 0.0 110.307 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -82.31 120.21 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -95.2 -38.89 10.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.11 178.76 44.27 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.272 -0.489 . . . . 0.0 113.972 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -114.6 152.32 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 C-N-CA 123.376 0.67 . . . . 0.0 109.92 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -151.51 101.37 2.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.69 -140.78 26.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.77 2.5 37.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.043 0.537 . . . . 0.0 111.509 168.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.43 146.85 25.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.075 0.95 . . . . 0.0 110.392 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 t -131.25 124.72 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm-85 -88.39 114.26 24.84 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.8 132.62 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.675 1.19 . . . . 0.0 109.326 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.29 134.52 11.89 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.986 0.803 . . . . 0.0 111.539 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.27 117.91 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.981 0.913 . . . . 0.0 108.959 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -119.03 92.77 3.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.998 0.519 . . . . 0.0 110.388 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.74 76.57 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 110.247 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.38 152.03 79.26 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.59 2.193 . . . . 0.0 111.125 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.95 -0.94 2.6 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 112.672 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.89 -22.27 66.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.218 1.007 . . . . 0.0 111.283 169.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.74 146.22 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.25 1.02 . . . . 0.0 110.417 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.93 156.57 23.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.441 0.296 . . . . 0.0 111.073 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.15 132.74 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.958 0.503 . . . . 0.0 109.834 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -154.8 167.56 29.84 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.724 0.81 . . . . 0.0 110.914 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 28.6 ptt-85 -88.66 157.48 18.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 166.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -57.8 -35.82 71.34 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -168.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.82 -19.1 63.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.098 0.959 . . . . 0.0 113.561 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.1 mm -96.12 -36.55 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.71 0.804 . . . . 0.0 110.72 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -52.32 -35.91 51.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.489 1.116 . . . . 0.0 112.707 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.76 -27.71 66.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.65 0.78 . . . . 0.0 112.57 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -68.7 -37.03 79.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 111.805 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.433 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -69.79 -19.69 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 O-C-N 122.008 -0.433 . . . . 0.0 109.916 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -94.48 2.04 55.73 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.986 0.914 . . . . 0.0 112.494 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.17 49.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.858 0.863 . . . . 0.0 112.998 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.75 105.14 2.39 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.179 0.895 . . . . 0.0 111.3 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.97 140.34 47.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.1 0.96 . . . . 0.0 110.79 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 47.3 p -123.31 -3.4 8.44 Favored 'General case' 0 C--O 1.231 0.079 0 C-N-CA 124.291 1.037 . . . . 0.0 112.4 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.42 138.45 15.5 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 123.655 0.782 . . . . 0.0 110.389 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -57.62 -36.93 98.41 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.625 2.883 . . . . 0.0 113.923 172.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 123.692 0.797 . . . . 0.0 110.513 -169.21 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.599 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.3 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.999 0.428 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.65 108.79 14.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.269 1.828 . . . . 0.0 107.347 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -91.92 138.85 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.414 1.086 . . . . 0.0 109.554 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.94 134.99 22.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.093 1.357 . . . . 0.0 109.249 -167.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 134.55 34.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.174 -0.329 . . . . 0.0 110.973 169.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -136.35 133.66 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.377 0.671 . . . . 0.0 110.378 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -79.98 157.06 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.053 0.541 . . . . 0.0 110.763 171.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -61.18 140.08 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 121.282 0.563 . . . . 0.0 111.811 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.83 -4.32 85.28 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.448 1.023 . . . . 0.0 113.96 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -91.54 174.53 7.32 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.03 1.415 . . . . 0.0 112.201 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -129.69 158.49 39.22 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -168.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 25.9 mt -140.3 159.25 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 127.805 2.442 . . . . 0.0 108.886 -175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -138.51 148.42 44.26 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 112.112 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -134.24 136.36 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.788 1.235 . . . . 0.0 109.07 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -137.17 50.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -124.04 8.35 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.945 0.898 . . . . 0.0 111.744 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -130.1 -11.78 4.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.87 136.23 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.825 0.738 . . . . 0.0 110.656 -172.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -121.38 145.17 48.17 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.269 1.027 . . . . 0.0 109.747 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -125.46 144.52 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.677 1.591 . . . . 0.0 107.779 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -137.71 133.38 34.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.921 -0.487 . . . . 0.0 109.952 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -88.99 93.7 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.6 -28.32 64.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.036 -0.415 . . . . 0.0 110.903 -172.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.2 -176.22 38.61 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.726 -0.273 . . . . 0.0 113.313 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.97 158.31 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.011 0.525 . . . . 0.0 110.839 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.06 77.55 1.53 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.735 0.814 . . . . 0.0 109.449 171.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.44 -115.22 3.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.424 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -96.96 -5.21 38.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.52 0.728 . . . . 0.0 110.44 171.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.24 159.66 29.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.648 0.737 . . . . 0.0 111.874 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.02 124.41 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.161 1.384 . . . . 0.0 108.299 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -82.79 118.79 23.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -120.46 115.18 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.036 0.934 . . . . 0.0 109.178 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.17 141.32 19.85 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.517 1.056 . . . . 0.0 110.603 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.2 mt -134.6 135.24 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.07 89.88 2.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.0 61.81 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.513 1.125 . . . . 0.0 109.455 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.61 149.7 88.68 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.947 1.765 . . . . 0.0 110.486 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -68.51 -1.01 5.73 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.737 -0.602 . . . . 0.0 112.539 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.26 -23.24 66.37 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.895 1.278 . . . . 0.0 111.574 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.37 160.04 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.115 0.966 . . . . 0.0 110.777 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.73 157.1 16.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.271 0.629 . . . . 0.0 112.361 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.78 125.3 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 167.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -147.73 165.19 31.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.343 0.657 . . . . 0.0 111.356 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -63.44 154.52 31.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.341 0.656 . . . . 0.0 109.433 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.98 -36.21 78.85 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 119.025 0.83 . . . . 0.0 111.02 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.9 -25.4 68.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.716 0.806 . . . . 0.0 112.746 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mm -95.5 -39.33 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.555 1.142 . . . . 0.0 111.212 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -46.79 -38.28 9.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.307 1.443 . . . . 0.0 111.728 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.19 -26.12 68.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.732 1.213 . . . . 0.0 113.665 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.26 -47.36 50.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.054 0.843 . . . . 0.0 109.846 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.532 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.1 mp -62.7 -34.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.705 0.402 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -82.99 1.74 38.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.04 0.536 . . . . 0.0 111.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.22 -5.85 59.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.397 1.079 . . . . 0.0 112.412 169.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.41 46.73 0.52 Allowed Glycine 0 C--N 1.339 0.723 0 CA-C-N 118.519 0.599 . . . . 0.0 114.266 169.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -163.43 -178.31 5.81 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 117.999 0.899 . . . . 0.0 111.998 -169.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -152.61 104.14 2.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.521 1.128 . . . . 0.0 108.631 166.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.31 89.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 126.766 2.026 . . . . 0.0 114.586 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.44 179.83 0.82 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.035 3.156 . . . . 0.0 113.253 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.886 0.875 . . . . 0.0 112.334 176.445 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.91 104.53 9.91 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 121.497 1.953 . . . . 0.0 110.68 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.09 139.66 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.899 1.28 . . . . 0.0 110.158 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 mt -135.13 164.95 26.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.48 107.17 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 166.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 129.81 56.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.899 1.68 . . . . 0.0 110.05 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.24 165.98 12.33 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.855 1.207 . . . . 0.0 112.743 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 m -59.49 137.1 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.646 -169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.45 83.5 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.064 0.84 . . . . 0.0 114.208 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -97.3 172.14 7.98 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.63 1.215 . . . . 0.0 111.376 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -135.55 158.92 43.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -169.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -137.5 156.96 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.989 2.115 . . . . 0.0 107.843 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -132.01 152.98 50.82 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.272 -0.893 . . . . 0.0 113.047 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.18 136.99 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.374 1.469 . . . . 0.0 109.323 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.49 -137.31 50.28 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -119.15 -4.26 10.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.742 0.817 . . . . 0.0 112.101 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -128.83 -3.24 5.24 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.24 131.25 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.878 0.763 . . . . 0.0 110.685 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -123.3 141.88 51.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.205 1.002 . . . . 0.0 109.387 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -118.69 138.63 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.849 1.259 . . . . 0.0 108.213 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -132.57 129.64 39.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.224 0.61 . . . . 0.0 109.898 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -85.13 103.58 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.53 -29.85 61.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.082 -0.387 . . . . 0.0 111.119 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.15 34.81 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 122.967 0.318 . . . . 0.0 113.705 170.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.47 154.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.714 0.806 . . . . 0.0 112.159 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -144.05 89.91 2.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.185 1.394 . . . . 0.0 108.697 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.03 -112.91 5.3 Favored Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.809 -0.557 . . . . 0.0 111.778 -175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -89.24 -22.38 22.76 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.559 0.68 . . . . 0.0 111.624 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.11 142.85 43.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.215 0.606 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.4 116.71 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -85.94 123.92 31.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.45 132.6 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.674 0.79 . . . . 0.0 110.06 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.0 139.12 14.24 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.324 0.964 . . . . 0.0 111.374 172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -128.76 108.89 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.104 1.361 . . . . 0.0 108.285 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -106.6 98.97 8.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.83 58.61 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.972 0.909 . . . . 0.0 109.389 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.68 150.99 58.14 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 121.902 1.735 . . . . 0.0 111.3 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -60.92 -8.06 2.87 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.443 1.097 . . . . 0.0 112.795 172.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.85 -28.03 69.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.73 2.012 . . . . 0.0 111.909 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.73 155.13 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.26 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.5 151.06 22.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 122.183 -0.323 . . . . 0.0 111.848 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.06 128.22 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.143 0.577 . . . . 0.0 110.338 169.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -150.44 172.77 14.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.976 0.91 . . . . 0.0 110.754 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -69.46 161.4 29.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.94 -29.4 70.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 122.164 -0.335 . . . . 0.0 111.64 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.45 -54.58 45.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.812 . . . . 0.0 110.99 170.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 mm -74.06 -34.16 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.451 0.7 . . . . 0.0 110.084 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -51.85 -36.63 48.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.914 1.286 . . . . 0.0 112.82 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.9 -21.93 61.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.891 0.876 . . . . 0.0 112.553 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.11 -48.6 42.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.585 0.63 . . . . 0.0 109.498 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.493 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -65.56 -24.33 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.984 0.914 . . . . 0.0 110.805 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.39 -55.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.19 -6.7 15.47 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -166.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.78 60.81 0.33 Allowed Glycine 0 CA--C 1.522 0.501 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -171.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.657 HD22 ' H ' ' E' ' 55' ' ' LEU . 0.4 OUTLIER -50.9 146.44 6.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.083 1.753 . . . . 0.0 114.074 -164.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 42.4 p -92.02 -6.77 50.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.786 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.67 135.82 27.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.258 1.023 . . . . 0.0 110.038 170.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -63.55 177.34 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.205 2.604 . . . . 0.0 113.77 172.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 124.437 1.095 . . . . 0.0 112.592 178.551 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.0 145.87 29.52 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.773 0.429 . . . . 0.0 111.062 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.05 135.59 63.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.92 165.0 24.88 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.852 1.261 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 100.66 6.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 168.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.02 130.57 53.2 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.465 1.506 . . . . 0.0 110.384 -174.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.65 165.01 12.73 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.613 1.097 . . . . 0.0 112.8 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -58.81 136.96 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.578 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 -5.74 82.06 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.26 0.933 . . . . 0.0 114.065 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -95.07 169.57 10.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.623 1.212 . . . . 0.0 111.395 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 55.8 m -135.47 159.93 40.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -139.95 158.87 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.849 2.059 . . . . 0.0 107.954 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -136.87 151.37 49.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.469 -0.769 . . . . 0.0 112.596 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.04 140.89 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.725 1.21 . . . . 0.0 109.241 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.11 -133.36 48.94 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.37 10.12 7.32 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.18 0.992 . . . . 0.0 111.837 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.32 -16.29 1.22 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -171.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -104.43 136.5 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.04 0.836 . . . . 0.0 110.553 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -127.6 142.94 51.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.349 1.06 . . . . 0.0 110.31 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.69 140.45 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.492 1.517 . . . . 0.0 108.264 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -134.73 130.11 35.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.986 0.515 . . . . 0.0 109.815 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -82.26 110.25 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.19 -27.71 29.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.26 -175.01 33.35 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.401 0.524 . . . . 0.0 113.4 169.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.04 152.37 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.557 0.743 . . . . 0.0 111.897 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -141.86 89.98 2.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.163 1.385 . . . . 0.0 108.634 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.36 -110.86 3.75 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.06 -22.83 20.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.565 0.682 . . . . 0.0 111.822 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -73.84 141.9 46.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.053 0.541 . . . . 0.0 109.864 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.67 116.51 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -86.02 125.45 33.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.73 138.75 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.025 0.93 . . . . 0.0 109.793 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.38 143.33 16.86 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 mt -130.82 132.83 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.654 1.181 . . . . 0.0 109.438 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -127.62 112.08 14.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.01 0.924 . . . . 0.0 109.048 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.72 157.89 75.27 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.635 0.774 . . . . 0.0 111.325 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.26 160.7 40.99 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.935 2.423 . . . . 0.0 112.171 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -64.4 -12.24 41.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.61 -15.29 61.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.807 1.243 . . . . 0.0 112.473 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.11 163.49 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.839 0.856 . . . . 0.0 111.062 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.02 161.41 14.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.155 0.582 . . . . 0.0 111.409 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.02 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.296 0.638 . . . . 0.0 110.192 170.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -154.99 169.09 24.89 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.922 0.889 . . . . 0.0 110.528 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -75.15 162.46 28.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.948 -0.47 . . . . 0.0 109.775 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -22.69 65.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -172.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.48 -43.14 97.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.82 0.848 . . . . 0.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -86.75 -37.17 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.18 0.592 . . . . 0.0 109.746 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -51.23 -30.45 17.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.52 0.728 . . . . 0.0 112.609 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.22 -21.84 49.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.927 1.291 . . . . 0.0 113.053 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -82.19 -49.24 10.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.174 0.99 . . . . 0.0 111.426 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.484 ' O ' HD12 ' F' ' 55' ' ' LEU . 1.3 mp -49.49 -46.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 128.435 2.694 . . . . 0.0 115.757 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 52' ' ' GLN . . . . . 0.431 HE22 ' HB2' ' F' ' 53' ' ' ALA . 0.0 OUTLIER -85.48 -34.47 21.6 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 174.269 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 53' ' ' ALA . . . . . 0.431 ' HB2' HE22 ' F' ' 52' ' ' GLN . . . -92.12 -34.57 14.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -165.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.71 -14.89 0.06 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 115.212 0.845 . . . . 0.0 115.212 -167.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.549 ' N ' HD13 ' F' ' 55' ' ' LEU . 0.1 OUTLIER 67.36 170.15 0.26 Allowed 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.654 1.982 . . . . 0.0 113.167 169.201 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 42.9 p -115.89 148.26 40.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.842 0.857 . . . . 0.0 110.929 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.83 70.77 1.71 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.199 1.4 . . . . 0.0 113.073 -171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.98 -43.97 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.954 3.103 . . . . 0.0 113.952 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.795 0.838 . . . . 0.0 110.266 -168.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C5'-C4'-C3' 110.91 -3.06 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.5 -3.2 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 O4'-C1'-N19 112.539 4.339 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-O4' 114.148 3.534 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.441 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C3'-C2'-C1' 104.87 3.745 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.441 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.154 1 C5'-C4'-C3' 108.484 -4.677 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 110.249 -3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C5'-C4'-C3' 110.56 -3.293 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O5'-C5'-C4' 113.544 2.389 . 0.016 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 1 C3'-C2'-C1' 105.133 4.036 . 0.187 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.955 3.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-C3' 111.807 -2.462 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 C5'-C4'-C3' 110.396 -3.403 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 99.78 -2.92 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.606 3.406 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 110.723 2.523 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 O4'-C1'-N19 113.292 5.092 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.283 3.083 . 0.55 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 2 O4'-C1'-N19 112.664 4.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.257 4.057 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.341 4.141 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C5'-C4'-O4' 112.971 2.694 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.757 4.557 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 111.93 3.73 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.787 -3.809 . 0.46 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 111.189 2.989 . 0.284 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C5'-C4'-C3' 111.682 -2.545 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.613 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.375 0 C5'-C4'-C3' 112.448 -2.035 . 0.062 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C5'-C4'-C3' 111.469 -2.688 OUTLIER-DELTA 0.017 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.502 3.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.564 -3.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 O4'-C1'-N19 111.13 2.93 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 1 O4'-C1'-N19 112.381 4.181 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 99.174 -3.526 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 99.474 -3.226 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 112.0 3.8 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C4'-C3'-C2' 99.33 -3.37 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.455 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C4'-C3'-C2' 100.74 -1.96 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.455 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 103.417 2.13 . 0.226 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 2 O4'-C1'-N19 114.579 6.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 C5'-C4'-C3' 109.744 -3.837 . 0.065 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 1 O4'-C1'-N19 112.334 4.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.499 3.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 O4'-C1'-N19 112.264 4.064 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.54 4.34 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 C4'-C3'-C2' 99.797 -2.903 . 0.394 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 1 O4'-C1'-N19 112.266 4.066 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 C3'-C2'-C1' 105.03 3.922 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C3'-C2'-C1' 104.546 3.384 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.218 3.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 111.197 -2.868 . 0.406 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 1 O5'-C5'-C4' 116.758 4.684 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 O4'-C1'-N19 110.266 2.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 1 O4'-C1'-N19 112.376 4.176 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C4'-C3'-C2' 100.036 -2.664 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.01 2.81 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C5'-C4'-C3' 111.376 -2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.413 4.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 O4'-C1'-N19 112.271 4.071 . 0.025 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 0 O4'-C1'-N19 111.273 3.073 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.505 3.305 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.752 3.552 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.464 3.293 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 C4'-C3'-C2' 99.472 -3.228 . 0.085 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 O4'-C4'-C3' 108.766 2.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.434 0 C5'-C4'-C3' 111.547 -2.635 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 2 C5'-C4'-C3' 105.689 -6.54 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.4 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 P-O3'-C3' 125.659 4.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C4'-C3'-C2' 99.971 -2.729 . 0.895 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 112.179 3.979 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 111.494 3.294 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O4'-C1'-N19 112.717 4.517 . 0.183 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 112.2 24.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.285 0.948 . . . . 0.0 110.047 -173.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.16 137.46 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.261 1.024 . . . . 0.0 109.104 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -132.83 151.78 51.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.885 0.874 . . . . 0.0 109.682 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -111.84 100.95 9.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.86 140.97 41.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.473 0.709 . . . . 0.0 110.343 -169.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -106.22 155.37 19.54 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -49.62 125.05 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.296 0.638 . . . . 0.0 110.777 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.52 63.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.367 0.984 . . . . 0.0 114.445 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -99.27 168.52 9.97 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.7 1.25 . . . . 0.0 111.651 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -135.22 150.03 50.01 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 9.9 mm -108.41 155.99 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.641 1.576 . . . . 0.0 109.547 168.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -127.38 138.54 53.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.44 1.096 . . . . 0.0 110.202 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -133.76 131.0 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 0.0 109.579 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.92 -126.99 24.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -130.03 2.08 4.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.654 0.782 . . . . 0.0 112.365 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -135.55 -22.65 1.47 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mt -101.12 140.14 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.428 0.691 . . . . 0.0 110.33 -172.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -137.13 145.21 43.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.802 0.841 . . . . 0.0 109.154 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.85 141.65 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.49 1.116 . . . . 0.0 108.193 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -137.82 133.55 34.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.516 0.598 . . . . 0.0 110.178 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.88 101.99 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 169.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.89 -26.71 57.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.901 -0.499 . . . . 0.0 110.387 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.37 39.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 167.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.45 145.55 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.466 1.107 . . . . 0.0 111.257 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -138.29 63.88 1.52 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.948 1.299 . . . . 0.0 110.175 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.21 -122.43 6.5 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -173.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.97 -7.87 59.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.267 0.627 . . . . 0.0 112.37 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -106.63 154.33 21.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.863 0.865 . . . . 0.0 112.482 172.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -136.86 123.44 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.494 1.518 . . . . 0.0 110.168 -168.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -87.41 101.97 14.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.639 1.176 . . . . 0.0 112.108 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.28 134.63 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.275 1.43 . . . . 0.0 109.213 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.01 139.75 15.36 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.079 0.847 . . . . 0.0 111.685 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.0 mt -113.6 134.47 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.287 1.435 . . . . 0.0 108.356 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -124.56 74.99 1.37 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.175 0.99 . . . . 0.0 109.351 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.86 40.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.804 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.3 155.06 56.33 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.447 2.098 . . . . 0.0 110.499 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -68.23 -1.47 6.23 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.16 -30.97 71.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.965 0.906 . . . . 0.0 111.487 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.95 144.05 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 123.743 0.817 . . . . 0.0 111.324 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.76 143.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.928 0.891 . . . . 0.0 110.855 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.69 128.71 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 118.117 0.417 . . . . 0.0 110.648 173.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -153.54 -176.0 5.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.596 1.159 . . . . 0.0 109.933 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 169.7 12.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.41 -39.24 82.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -168.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.08 -7.14 44.44 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.11 -28.74 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.784 1.234 . . . . 0.0 110.701 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -65.94 -30.97 71.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.342 -0.849 . . . . 0.0 110.646 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -73.71 -18.94 60.94 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.729 0.811 . . . . 0.0 111.523 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -31.25 56.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.136 0.975 . . . . 0.0 111.244 170.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.5 mt -69.23 -54.76 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.669 0.788 . . . . 0.0 109.439 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -77.66 5.03 10.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.747 0.819 . . . . 0.0 111.641 -173.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.53 66.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.33 0.652 . . . . 0.0 112.249 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.9 15.08 1.07 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 123.774 0.702 . . . . 0.0 113.32 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -123.62 175.99 6.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.721 1.208 . . . . 0.0 111.261 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.3 p -137.6 -20.37 1.18 Allowed 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 155.35 48.12 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.383 1.073 . . . . 0.0 111.041 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.62 161.79 44.2 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.303 2.669 . . . . 0.0 111.939 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.78 175.42 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.437 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 37.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.09 118.7 35.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.993 1.317 . . . . 0.0 107.68 169.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.6 mt -116.08 137.44 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.938 0.495 . . . . 0.0 112.072 -165.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.99 137.68 41.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.038 1.335 . . . . 0.0 110.694 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -116.35 101.02 8.3 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -128.57 153.41 47.25 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.107 0.963 . . . . 0.0 112.125 -168.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -82.34 155.44 24.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.177 0.991 . . . . 0.0 110.418 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.64 134.7 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 121.058 0.456 . . . . 0.0 110.53 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.72 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.698 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.01 156.65 21.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.094 1.447 . . . . 0.0 112.531 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -121.4 146.58 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.401 1.08 . . . . 0.0 111.497 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.9 mt -136.82 153.41 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.6 1.56 . . . . 0.0 109.106 -169.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.35 143.6 42.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 O-C-N 121.56 -0.713 . . . . 0.0 112.772 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.28 130.67 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.51 1.124 . . . . 0.0 109.834 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -137.78 49.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 -1.13 10.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.635 0.774 . . . . 0.0 112.288 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.59 -20.56 10.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.516 0.726 . . . . 0.0 112.921 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.74 135.02 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -130.8 149.41 52.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 109.807 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -128.98 147.48 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 126.262 1.825 . . . . 0.0 107.903 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -141.69 130.95 23.51 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.001 -0.437 . . . . 0.0 110.231 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.26 104.72 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.56 -29.87 52.38 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.982 -0.449 . . . . 0.0 110.668 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.35 -178.86 35.31 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 122.681 0.181 . . . . 0.0 113.15 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.44 152.62 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.088 0.555 . . . . 0.0 110.808 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -135.32 78.59 1.74 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.745 1.218 . . . . 0.0 108.911 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.48 -117.2 4.46 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.43 7.36 42.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.229 0.612 . . . . 0.0 111.037 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -98.94 154.21 18.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.088 0.955 . . . . 0.0 110.304 170.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -141.32 115.66 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.149 0.58 . . . . 0.0 109.485 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -82.16 117.66 22.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.115 0.966 . . . . 0.0 109.466 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.42 131.59 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 109.956 -172.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.62 143.29 16.43 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 123.439 0.543 . . . . 0.0 112.02 172.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.46 129.78 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.04 0.936 . . . . 0.0 109.269 173.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -132.15 74.99 1.61 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.261 -168.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.53 157.75 45.03 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.344 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -59.68 156.61 36.43 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.697 1.598 . . . . 0.0 110.179 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -0.93 18.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.72 0.771 . . . . 0.0 111.178 176.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.84 -23.1 66.6 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.837 1.655 . . . . 0.0 111.755 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.25 144.12 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.271 1.029 . . . . 0.0 109.985 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.21 142.26 29.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.601 0.715 . . . . 0.0 111.661 170.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 t -142.65 96.14 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.79 -166.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.64 159.15 43.81 Favored 'General case' 0 N--CA 1.457 -0.087 0 O-C-N 121.938 -0.476 . . . . 0.0 111.912 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.0 ptt-85 -67.78 159.94 29.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.98 0.512 . . . . 0.0 111.924 171.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -56.87 -40.28 75.89 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.274 0.63 . . . . 0.0 112.488 -171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.75 -11.88 59.35 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.16 -50.55 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 110.204 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -50.51 -37.05 36.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.794 1.238 . . . . 0.0 111.977 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.11 -21.73 62.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.5 mpt_? -79.0 -41.07 29.87 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.317 0.962 . . . . 0.0 110.091 169.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.2 -39.73 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -81.23 4.9 18.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.37 -19.3 46.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.178 0.591 . . . . 0.0 111.455 168.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.3 48.45 0.09 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 123.558 0.599 . . . . 0.0 113.883 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.0 -176.37 2.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 117.677 0.738 . . . . 0.0 112.55 -168.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -128.67 -178.35 4.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.232 1.413 . . . . 0.0 109.575 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.87 121.16 2.32 Favored Pre-proline 0 N--CA 1.454 -0.255 0 C-N-CA 124.102 0.961 . . . . 0.0 111.325 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -57.03 137.61 82.68 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.041 2.494 . . . . 0.0 113.204 -169.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.455 -0.213 0 C-N-CA 125.231 1.412 . . . . 0.0 113.397 172.74 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 110.57 20.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 165.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.2 134.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.128 0.971 . . . . 0.0 109.795 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.83 134.99 48.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.084 0.953 . . . . 0.0 109.554 169.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 62.9 p -92.98 140.74 29.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.782 0.433 . . . . 0.0 110.917 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -139.25 132.04 29.14 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.662 0.785 . . . . 0.0 110.348 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -75.94 153.55 36.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 168.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.78 135.32 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 121.257 -0.902 . . . . 0.0 111.735 -174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -4.09 81.7 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.714 1.15 . . . . 0.0 114.237 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -85.94 174.37 9.3 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.33 1.565 . . . . 0.0 112.578 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -133.86 157.58 45.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -167.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -141.23 153.38 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 128.046 2.538 . . . . 0.0 108.049 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -131.14 147.67 52.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.29 -0.882 . . . . 0.0 111.975 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -133.9 136.95 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.698 1.199 . . . . 0.0 108.869 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -141.09 42.14 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 123.614 0.626 . . . . 0.0 111.717 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -116.87 7.08 13.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.997 0.919 . . . . 0.0 111.421 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.28 -12.39 5.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.085 0.954 . . . . 0.0 113.306 -169.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.85 138.68 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 118.714 0.688 . . . . 0.0 110.969 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -127.41 138.94 53.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.678 1.191 . . . . 0.0 109.347 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -122.06 142.36 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.693 1.197 . . . . 0.0 108.39 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.08 130.0 28.47 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.852 -0.53 . . . . 0.0 110.787 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.35 117.15 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.466 HD13 " H1'" ' G' ' 67' ' ' ' C' . 8.2 mt -90.0 -37.73 14.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.04 -0.412 . . . . 0.0 109.907 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.67 -177.88 43.54 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.537 -0.363 . . . . 0.0 113.686 169.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.88 154.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.485 0.714 . . . . 0.0 110.357 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.0 p -148.37 100.18 3.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.091 0.956 . . . . 0.0 109.016 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.72 -126.0 20.67 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.31 1.41 54.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.824 0.85 . . . . 0.0 112.036 173.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -87.88 155.51 19.83 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.514 0.726 . . . . 0.0 110.715 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.9 120.01 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.453 1.101 . . . . 0.0 108.546 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -81.24 113.28 19.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -118.19 130.11 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.789 1.236 . . . . 0.0 109.5 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.93 15.32 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.049 0.833 . . . . 0.0 111.915 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.2 mt -127.01 116.75 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 124.907 1.283 . . . . 0.0 108.783 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -116.06 98.06 6.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.504 0.722 . . . . 0.0 109.768 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.61 78.33 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.433 1.093 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -62.04 152.64 74.2 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.489 2.126 . . . . 0.0 111.161 171.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.65 -1.0 2.36 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.495 0.718 . . . . 0.0 112.523 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.78 -22.77 66.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.453 1.101 . . . . 0.0 111.505 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.19 144.65 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.117 0.967 . . . . 0.0 110.535 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.41 154.8 21.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.704 0.402 . . . . 0.0 110.887 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.41 129.81 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 C-N-CA 122.947 0.499 . . . . 0.0 109.829 173.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -156.25 160.22 39.59 Favored 'General case' 0 CA--C 1.524 -0.047 0 C-N-CA 123.237 0.615 . . . . 0.0 111.631 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -74.82 160.47 30.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 166.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.8 -33.23 72.68 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.277 0.631 . . . . 0.0 112.181 -169.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.31 -42.48 77.69 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 111.761 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -93.44 -30.16 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.542 0.737 . . . . 0.0 110.907 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.27 -36.07 40.43 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.732 0.813 . . . . 0.0 112.263 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -59.75 -31.83 70.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.595 0.758 . . . . 0.0 112.316 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -69.05 -37.48 78.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.41 0.684 . . . . 0.0 111.739 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.04 -20.27 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 O-C-N 122.057 -0.402 . . . . 0.0 110.199 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -96.36 1.73 52.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.993 0.917 . . . . 0.0 112.984 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.4 -1.25 57.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.66 8.24 62.41 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.51 -0.605 . . . . 0.0 112.77 -173.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 59.52 -170.14 0.14 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.638 1.575 . . . . 0.0 112.257 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -86.46 -8.93 57.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 112.47 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.92 131.69 12.53 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.256 1.022 . . . . 0.0 110.241 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.54 -41.42 57.1 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.228 2.619 . . . . 0.0 112.692 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.133 0.973 . . . . 0.0 110.701 -171.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.418 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -106.01 118.48 36.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.701 1.2 . . . . 0.0 109.342 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.418 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.4 mp -102.78 135.26 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.789 1.235 . . . . 0.0 108.906 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.6 134.96 27.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.762 1.225 . . . . 0.0 108.415 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 109.94 20.92 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -170.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.85 130.54 56.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.083 -0.386 . . . . 0.0 111.255 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.78 151.94 45.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.126 0.489 . . . . 0.0 110.576 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -57.85 137.07 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.318 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.06 86.88 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.999 -0.889 . . . . 0.0 114.129 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -94.3 171.46 8.81 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.014 1.407 . . . . 0.0 111.859 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 158.41 38.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -168.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mt -139.06 157.96 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 127.143 2.177 . . . . 0.0 108.414 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -131.91 152.76 50.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.004 0.921 . . . . 0.0 111.573 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.73 134.51 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.077 1.351 . . . . 0.0 109.278 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -137.16 50.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -122.56 7.42 9.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.969 0.908 . . . . 0.0 111.861 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -133.14 -13.3 2.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.38 133.75 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 118.832 0.742 . . . . 0.0 110.638 -172.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 14.5 m -116.17 148.63 40.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.086 0.954 . . . . 0.0 109.847 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -129.64 143.51 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 125.858 1.663 . . . . 0.0 107.807 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -139.09 133.04 31.01 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 121.779 -0.576 . . . . 0.0 110.008 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -88.66 94.53 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.42 -30.59 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.862 -0.524 . . . . 0.0 110.963 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.76 -175.17 39.17 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.7 -0.286 . . . . 0.0 113.437 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 m -108.64 157.49 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.486 0.714 . . . . 0.0 111.003 170.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.6 80.16 1.65 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.376 1.07 . . . . 0.0 109.298 170.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.51 -118.06 4.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.91 -7.12 40.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.398 0.679 . . . . 0.0 110.685 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.445 ' NE2' ' C5 ' ' G' ' 3' ' ' ' U' . 46.7 mt-30 -79.69 156.63 27.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.141 0.576 . . . . 0.0 110.828 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -136.37 124.46 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.012 0.925 . . . . 0.0 108.821 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.45 113.05 18.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.54 121.96 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.728 0.811 . . . . 0.0 109.075 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.54 136.68 12.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.64 142.17 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 108.698 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.437 0.695 . . . . 0.0 109.225 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.24 157.85 52.29 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.648 1.179 . . . . 0.0 109.826 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.88 150.21 89.07 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.009 1.806 . . . . 0.0 110.332 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.36 -1.65 6.83 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.95 -23.52 66.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.91 1.284 . . . . 0.0 111.698 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.4 159.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.219 1.008 . . . . 0.0 111.135 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.41 157.05 16.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.616 0.767 . . . . 0.0 112.707 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -152.79 121.67 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 122.865 0.466 . . . . 0.0 110.224 167.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -147.77 172.2 14.48 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.821 0.849 . . . . 0.0 111.54 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -71.71 157.43 37.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.861 0.464 . . . . 0.0 110.203 168.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.89 -35.43 76.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.281 0.632 . . . . 0.0 111.548 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.92 -28.3 68.18 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.407 0.683 . . . . 0.0 112.66 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.43 -37.05 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.698 1.199 . . . . 0.0 110.621 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.51 -41.66 66.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 110.829 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.16 -26.24 68.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.54 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 5.0 ttt180 -74.62 -38.74 62.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 123.637 0.775 . . . . 0.0 110.974 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 75.5 mt -74.0 -37.28 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.128 0.489 . . . . 0.0 109.773 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -78.27 2.0 19.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.002 0.921 . . . . 0.0 111.267 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -77.98 -16.99 57.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.783 0.833 . . . . 0.0 111.974 169.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.36 40.25 0.21 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-O 119.211 -0.772 . . . . 0.0 114.413 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.8 pp -156.71 174.04 16.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.582 1.191 . . . . 0.0 112.502 -169.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -138.42 61.6 1.58 Allowed 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.549 1.14 . . . . 0.0 110.441 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 58.92 101.07 0.04 OUTLIER Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 126.461 1.904 . . . . 0.0 113.376 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.55 175.26 3.62 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.13 2.553 . . . . 0.0 113.462 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 124.314 1.046 . . . . 0.0 112.668 176.334 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.21 119.29 24.92 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.978 1.311 . . . . 0.0 108.23 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.23 137.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.969 0.908 . . . . 0.0 109.581 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -138.53 164.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.236 1.414 . . . . 0.0 111.136 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -133.23 107.02 7.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.7 mmp_? -119.07 139.57 51.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.086 1.354 . . . . 0.0 110.507 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -96.98 169.57 9.74 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 m -60.21 138.22 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.48 84.57 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 124.071 0.844 . . . . 0.0 114.335 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -94.75 169.33 10.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.585 1.193 . . . . 0.0 111.461 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -133.14 156.73 46.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -169.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' E' ' 6' ' ' ARG . 46.3 mt -140.38 153.23 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 126.321 1.848 . . . . 0.0 107.905 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.76 150.77 51.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.587 -0.696 . . . . 0.0 112.608 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.72 136.97 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.986 1.315 . . . . 0.0 109.597 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.76 49.31 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -124.36 8.93 8.46 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.802 0.841 . . . . 0.0 111.961 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -136.76 -6.73 1.91 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -170.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.57 132.64 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-N 118.912 0.778 . . . . 0.0 110.639 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.0 m -127.75 142.59 51.27 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 110.157 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -122.07 141.17 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.483 1.513 . . . . 0.0 108.24 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 45.7 m -137.3 128.5 27.86 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.019 0.528 . . . . 0.0 110.023 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.59 109.95 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.9 -31.17 56.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.624 0.37 . . . . 0.0 110.746 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -173.26 34.68 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.24 0.448 . . . . 0.0 113.359 169.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.46 159.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 123.41 0.684 . . . . 0.0 112.413 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.98 91.26 1.76 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.962 1.305 . . . . 0.0 109.066 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.21 -116.45 6.25 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 121.705 -0.622 . . . . 0.0 111.789 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -88.87 -18.97 26.48 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.593 0.697 . . . . 0.0 111.295 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -78.29 146.59 34.72 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.983 0.897 . . . . 0.0 110.73 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -140.99 113.21 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -87.16 123.32 32.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -129.86 134.17 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.43 0.692 . . . . 0.0 110.614 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.58 140.96 15.17 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.275 0.94 . . . . 0.0 111.578 171.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.34 124.31 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.822 1.249 . . . . 0.0 109.033 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -122.98 100.14 6.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.325 0.65 . . . . 0.0 109.654 -172.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.58 71.9 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.206 1.002 . . . . 0.0 110.814 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.65 159.24 41.99 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.161 2.574 . . . . 0.0 112.159 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -72.95 -0.9 14.97 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 171.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.15 -21.85 66.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.307 1.043 . . . . 0.0 111.44 168.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.82 159.42 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.265 1.026 . . . . 0.0 110.69 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.38 157.22 16.0 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.099 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.06 125.91 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.376 0.67 . . . . 0.0 109.702 169.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -147.58 165.99 28.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.872 0.869 . . . . 0.0 110.066 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -66.42 156.68 33.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.25 -19.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.988 -0.445 . . . . 0.0 111.403 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.81 -46.92 88.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.374 1.069 . . . . 0.0 111.477 168.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 mm -83.76 -34.79 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.308 1.043 . . . . 0.0 110.412 -170.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -49.55 -34.76 18.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.946 1.299 . . . . 0.0 113.098 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -59.78 -21.97 61.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.085 0.954 . . . . 0.0 112.381 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -73.32 -50.2 23.4 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.325 0.65 . . . . 0.0 109.498 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.519 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.3 mp -62.92 -23.14 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 125.344 1.458 . . . . 0.0 110.738 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -85.28 -43.43 13.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 169.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.01 -30.38 10.31 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -166.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.78 -20.64 1.33 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.912 0.768 . . . . 0.0 112.987 -169.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.47 179.68 0.14 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.977 2.511 . . . . 0.0 113.005 169.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 35.5 p -89.49 -6.56 56.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.76 132.11 18.37 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 110.043 173.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -65.86 179.15 1.92 Allowed 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.98 2.453 . . . . 0.0 114.022 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.517 1.127 . . . . 0.0 112.454 179.613 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.796 -0.076 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.9 147.21 23.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.113 -0.367 . . . . 0.0 111.521 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 135.4 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 124.049 0.94 . . . . 0.0 108.495 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -134.62 163.36 29.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.167 0.987 . . . . 0.0 109.259 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -131.59 96.94 4.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 109.453 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' F' ' 12' ' ' ILE . 9.1 ttp180 -104.99 162.13 13.62 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.995 1.318 . . . . 0.0 110.603 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -119.46 168.43 10.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 m -54.98 134.91 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.568 -170.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 -9.35 72.21 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.292 0.949 . . . . 0.0 114.643 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.17 175.63 6.87 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.25 1.525 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -141.07 163.98 31.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HD3' ' F' ' 6' ' ' ARG . 20.5 mt -149.88 153.72 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.82 2.448 . . . . 0.0 107.748 -171.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -127.61 152.43 47.66 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.901 0.88 . . . . 0.0 112.462 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.04 141.79 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.512 1.125 . . . . 0.0 109.083 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.44 49.47 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -122.27 9.96 9.87 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 112.017 172.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.74 -14.38 1.23 Allowed 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.95 139.95 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 119.152 0.887 . . . . 0.0 110.827 -172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.4 143.78 51.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.349 1.06 . . . . 0.0 110.229 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -126.64 137.0 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.585 1.554 . . . . 0.0 108.658 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -136.62 129.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.624 0.77 . . . . 0.0 110.411 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.03 109.71 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 173.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' F' ' 31' ' ' ARG . 28.7 mt -82.53 -31.97 28.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.021 0.529 . . . . 0.0 110.881 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -174.95 35.88 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.617 0.627 . . . . 0.0 113.083 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.89 153.3 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.426 0.69 . . . . 0.0 112.077 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.11 89.92 2.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.273 1.429 . . . . 0.0 109.031 169.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.42 -106.05 1.69 Allowed Glycine 0 CA--C 1.525 0.697 0 O-C-N 121.814 -0.554 . . . . 0.0 111.962 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -95.99 -21.94 17.7 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.547 0.673 . . . . 0.0 111.93 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.61 143.22 48.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.22 0.533 . . . . 0.0 110.001 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.53 116.46 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' F' ' 23' ' ' LEU . 22.3 ttm180 -87.02 127.73 35.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.2 141.17 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.492 -168.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.01 139.94 15.12 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 124.088 0.851 . . . . 0.0 111.148 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.11 143.13 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.756 1.223 . . . . 0.0 109.202 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -131.41 109.76 10.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.156 0.982 . . . . 0.0 108.978 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.07 157.13 78.37 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.829 0.852 . . . . 0.0 111.484 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.99 162.35 32.92 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.053 2.502 . . . . 0.0 112.192 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.78 -4.86 30.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.453 0.701 . . . . 0.0 112.674 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.79 -20.21 64.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.572 1.149 . . . . 0.0 112.432 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -128.39 164.64 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.896 0.879 . . . . 0.0 110.949 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.24 161.68 13.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.44 0.696 . . . . 0.0 111.209 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.79 124.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.384 0.673 . . . . 0.0 110.411 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -152.65 174.86 13.45 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 110.596 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -72.02 161.88 30.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.01 -28.45 69.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.005 -0.435 . . . . 0.0 112.094 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -42.66 81.27 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.461 1.104 . . . . 0.0 111.944 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.95 -31.54 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 110.639 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -48.99 -35.44 15.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 112.855 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.58 -21.97 54.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.544 1.138 . . . . 0.0 112.645 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -77.36 -47.46 19.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.621 0.769 . . . . 0.0 109.69 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.518 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.4 mp -64.06 -23.0 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.039 1.336 . . . . 0.0 110.487 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -85.25 -41.26 15.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.94 -31.95 9.0 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -166.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.71 -21.71 1.37 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.948 0.785 . . . . 0.0 112.949 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.48 176.56 0.16 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.138 2.575 . . . . 0.0 113.196 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 36.6 p -90.42 -12.59 37.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.871 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.36 129.4 13.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.014 0.925 . . . . 0.0 109.923 171.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -58.05 159.17 19.1 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.672 2.915 . . . . 0.0 114.155 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 125.536 1.535 . . . . 0.0 113.916 168.698 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.253 3.053 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 99.398 -3.302 . 0.324 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . 0.445 ' C5 ' ' NE2' ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 O4'-C1'-N19 112.289 4.089 . 0.569 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 1 O4'-C1'-N19 112.96 4.76 OUTLIER-EPSILON 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 1 P-O3'-C3' 126.061 5.301 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-O4' 114.675 3.91 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.482 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 112.081 3.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C3'-C2'-C1' 104.141 2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 O5'-C5'-C4' 113.163 2.116 . 0.025 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C5'-C4'-C3' 109.588 -3.942 . 0.116 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.147 2.947 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.433 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C5'-C4'-C3' 112.075 -2.283 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-C3' 111.206 -2.863 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.242 -2.458 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 111.744 3.544 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 110.909 2.709 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.989 3.789 . 0.515 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 N19-C1'-C2' 108.96 -2.775 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 2 O4'-C1'-N19 114.586 6.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.804 4.604 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.481 4.281 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-O4' 113.124 2.803 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.511 4.311 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 112.123 3.923 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 N19-C1'-C2' 109.023 -2.736 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 O4'-C1'-N19 111.438 3.238 . 0.606 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C5'-C4'-C3' 111.552 -2.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.408 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C5'-C4'-C3' 111.509 -2.661 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.408 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C5'-C4'-C3' 111.634 -2.577 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O5'-C5'-C4' 106.353 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . 0.4 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C4'-C3'-C2' 99.416 -3.284 . 0.05 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O4'-C1'-N19 111.183 2.983 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.351 4.151 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.199 -3.501 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 99.801 -2.899 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 111.907 3.707 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C4'-C3'-C2' 100.221 -2.479 . 0.312 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 C5'-C4'-C3' 109.422 -4.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 C4'-C3'-C2' 100.646 -2.054 . 0.329 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 O4'-C1'-N19 113.457 5.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.469 1 C5'-C4'-C3' 108.755 -4.497 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 112.183 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.699 4.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 O4'-C1'-N19 113.371 5.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 1 O4'-C1'-N19 112.559 4.359 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 110.899 2.699 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.536 3.336 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 1 C3'-C2'-C1' 105.661 4.624 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C4'-C3'-C2' 99.989 -2.711 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.865 3.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.464 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.5 3 O5'-C5'-C4' 116.762 4.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.464 H5'' " C2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.414 3 O5'-C5'-C4' 117.685 5.346 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . 0.402 H5'' " H2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 P-O3'-C3' 126.763 5.886 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 1 O4'-C1'-N19 112.339 4.139 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C4'-C3'-C2' 100.06 -2.64 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 111.076 2.876 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 112.158 -2.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.932 -2.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 112.112 3.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 O4'-C1'-N19 111.371 3.171 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.553 3.353 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C3'-C2'-C1' 104.79 3.655 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C5'-C4'-O4' 114.167 3.548 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 P-O3'-C3' 122.461 2.301 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 C3'-C2'-C1' 104.02 2.8 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.392 0 C5'-C4'-C3' 110.237 -3.509 . 0.159 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.466 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.307 2 C3'-C2'-C1' 97.345 -4.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 110.019 -3.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C5'-C4'-C3' 111.598 -2.601 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 O4'-C1'-N19 112.183 3.983 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.216 3.016 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 1 O4'-C1'-N19 113.003 4.803 . 0.276 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.8 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 105.77 17.97 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.505 0.722 . . . . 0.0 109.079 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.29 135.52 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.655 0.782 . . . . 0.0 109.041 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.8 mt -128.88 162.02 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.191 0.996 . . . . 0.0 109.611 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.7 m -124.28 105.76 9.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -95.83 165.91 12.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.385 1.074 . . . . 0.0 108.801 -169.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.28 151.2 51.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.2 t -48.31 121.35 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.94 -175.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.88 -7.65 55.37 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.234 1.397 . . . . 0.0 114.663 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -80.22 149.83 30.3 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.932 1.366 . . . . 0.0 112.282 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 m -124.97 142.7 51.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.574 0.75 . . . . 0.0 112.588 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 44' ' ' ARG . 36.3 mm -122.74 155.47 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.496 1.919 . . . . 0.0 108.514 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -130.16 135.23 47.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.602 1.161 . . . . 0.0 109.422 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.21 133.86 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.778 0.831 . . . . 0.0 109.325 -173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -127.57 33.09 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.01 0.09 5.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.746 0.819 . . . . 0.0 112.53 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -134.18 -14.13 2.35 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.6 mt -108.38 138.9 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.589 0.755 . . . . 0.0 110.463 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -135.56 143.62 45.77 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.164 0.986 . . . . 0.0 109.601 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -127.48 138.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.544 1.138 . . . . 0.0 108.797 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -133.62 137.22 45.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.643 0.777 . . . . 0.0 110.374 -176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -91.11 103.47 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.76 -27.23 50.28 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.876 -0.515 . . . . 0.0 110.495 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.86 -168.61 40.82 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 117.667 0.212 . . . . 0.0 113.61 169.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.83 145.18 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.955 0.902 . . . . 0.0 110.58 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -136.98 65.93 1.49 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.1 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -117.95 6.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -86.95 -5.05 59.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 112.546 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -108.22 153.52 23.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.666 0.746 . . . . 0.0 112.732 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -125.47 131.87 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 126.247 1.819 . . . . 0.0 108.473 -172.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -104.64 102.03 11.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.451 0.7 . . . . 0.0 110.274 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -109.3 137.63 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 109.891 -174.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 140.3 16.02 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.253 0.93 . . . . 0.0 111.702 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.46 138.77 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.321 1.448 . . . . 0.0 108.269 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -126.95 75.53 1.58 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.618 1.167 . . . . 0.0 109.3 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.38 154.1 46.47 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.238 1.415 . . . . 0.0 110.691 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.03 154.08 57.69 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.48 2.12 . . . . 0.0 110.606 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.25 -6.38 18.07 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.75 -25.68 65.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.037 0.935 . . . . 0.0 112.255 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.73 144.0 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.873 0.844 . . . . 0.0 112.033 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.1 36.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.793 1.237 . . . . 0.0 111.567 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -130.21 120.36 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.421 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -148.94 158.79 44.44 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.015 0.526 . . . . 0.0 111.932 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.15 166.11 23.99 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.296 0.638 . . . . 0.0 110.612 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -62.09 -41.27 98.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.566 -0.709 . . . . 0.0 112.472 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -76.95 2.89 13.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.08 -11.18 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.481 1.112 . . . . 0.0 111.184 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -80.07 -40.61 27.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.303 -1.498 . . . . 0.0 110.53 169.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.3 -22.39 61.2 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.824 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -75.59 -35.13 60.63 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.087 0.555 . . . . 0.0 111.614 173.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.14 -49.8 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.552 0.741 . . . . 0.0 109.475 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -83.97 5.12 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -19.23 65.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 122.216 -0.303 . . . . 0.0 111.476 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 -7.45 4.3 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.529 1.062 . . . . 0.0 113.005 172.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.6 pp -86.75 90.63 8.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 122.866 1.317 . . . . 0.0 110.929 -172.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -165.82 -31.81 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.244 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.81 152.89 4.76 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.677 1.591 . . . . 0.0 112.089 173.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -66.69 -20.93 52.45 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.277 2.651 . . . . 0.0 112.96 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 122.642 0.377 . . . . 0.0 111.836 -170.324 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.5 120.86 41.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.377 1.471 . . . . 0.0 107.314 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.403 HD11 " H5'" ' G' ' 52' ' ' ' A' . 53.6 mt -119.06 137.31 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -164.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -142.26 150.4 40.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.529 1.132 . . . . 0.0 111.436 -169.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -101.81 134.17 45.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.0 123.83 35.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.498 1.119 . . . . 0.0 109.919 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -73.72 155.99 38.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.129 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -59.6 126.83 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -6.75 61.72 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 118.894 -0.948 . . . . 0.0 115.023 -173.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -88.94 169.65 11.36 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.311 1.556 . . . . 0.0 111.913 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -140.99 158.78 43.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -168.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mm -133.82 154.26 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.344 2.258 . . . . 0.0 108.691 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -133.22 139.5 47.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.555 1.142 . . . . 0.0 110.426 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -131.27 134.39 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.974 0.91 . . . . 0.0 109.879 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -135.58 50.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -122.14 4.93 9.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.815 0.846 . . . . 0.0 112.049 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -125.82 -17.45 5.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.1 138.15 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 118.84 0.745 . . . . 0.0 110.827 -169.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -136.46 149.76 48.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.808 1.243 . . . . 0.0 109.94 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -130.94 143.73 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.877 1.671 . . . . 0.0 108.456 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -141.07 126.1 18.3 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.172 0.589 . . . . 0.0 110.708 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -77.92 117.93 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.76 -32.16 21.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.166 -0.334 . . . . 0.0 110.967 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.43 173.34 31.0 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 122.518 0.104 . . . . 0.0 113.124 171.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.2 153.66 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.129 0.49 . . . . 0.0 110.903 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -137.4 76.17 1.57 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.768 1.227 . . . . 0.0 109.123 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.74 -116.97 4.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.06 9.05 40.64 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.226 0.611 . . . . 0.0 111.401 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.89 152.18 20.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.597 1.159 . . . . 0.0 109.914 169.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.71 111.94 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.434 0.694 . . . . 0.0 110.108 -168.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.0 119.67 27.45 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.508 1.123 . . . . 0.0 110.245 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.42 136.47 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 124.015 0.926 . . . . 0.0 110.619 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.15 142.78 16.19 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 123.325 0.488 . . . . 0.0 112.303 169.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.79 134.0 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.835 0.854 . . . . 0.0 109.56 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -133.08 74.92 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.53 -168.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.59 156.73 51.09 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.085 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.77 152.45 42.2 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.648 1.566 . . . . 0.0 110.319 169.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -65.67 -0.71 2.24 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.437 0.695 . . . . 0.0 111.998 171.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.94 -30.96 71.62 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 112.022 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -104.96 144.13 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.499 1.12 . . . . 0.0 110.616 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.48 141.76 30.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.469 0.652 . . . . 0.0 111.863 169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.9 97.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.825 -166.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.5 158.74 44.12 Favored 'General case' 0 C--N 1.337 0.032 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -63.08 155.81 26.73 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.156 0.983 . . . . 0.0 111.903 169.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.04 -43.77 63.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.824 0.85 . . . . 0.0 112.091 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.97 -12.08 52.4 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -98.51 -49.59 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.147 0.979 . . . . 0.0 110.292 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.36 -37.02 34.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.213 1.405 . . . . 0.0 112.181 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -69.81 -23.6 63.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.6 mpt_? -79.03 -38.48 36.46 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.981 0.81 . . . . 0.0 110.551 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.0 mt -65.02 -41.06 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -79.55 5.13 13.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.39 -17.92 47.32 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.025 0.53 . . . . 0.0 111.863 169.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.361 -0.688 . . . . 0.0 114.58 169.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.0 -175.8 2.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.986 0.893 . . . . 0.0 112.865 -168.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.2 p -125.98 176.78 6.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.408 1.483 . . . . 0.0 109.174 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -37.94 119.1 0.96 Allowed Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.647 1.179 . . . . 0.0 112.008 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 46.0 Cg_exo -67.53 175.94 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.228 1.952 . . . . 0.0 113.308 -171.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.453 -0.289 0 C-N-CA 123.93 0.892 . . . . 0.0 112.419 173.14 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.87 107.14 16.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 166.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.64 134.35 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 123.861 0.864 . . . . 0.0 109.523 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.08 135.26 47.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.475 1.11 . . . . 0.0 109.668 169.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 34.0 p -94.17 147.14 23.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.21 0.529 . . . . 0.0 110.863 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -137.37 145.08 42.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.537 0.735 . . . . 0.0 110.027 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 4.4 tptm -83.32 155.41 23.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 168.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.85 130.82 22.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 118.996 0.816 . . . . 0.0 111.519 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 -4.93 79.26 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.608 1.099 . . . . 0.0 114.095 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.65 170.58 11.69 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.127 1.464 . . . . 0.0 111.895 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -132.96 158.23 43.18 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -167.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.78 159.03 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 127.209 2.204 . . . . 0.0 108.102 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -126.32 143.46 51.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.71 0.804 . . . . 0.0 111.235 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.03 151.49 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' C' ' 17' ' ' ASP . . . 8.23 121.8 0.0 OUTLIER Glycine 0 C--N 1.34 0.805 0 C-N-CA 128.212 2.815 . . . . 0.0 110.438 -174.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -53.62 9.99 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 -155.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' C' ' 15' ' ' GLY . 36.9 m-20 -94.69 -16.04 23.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.795 1.638 . . . . 0.0 111.588 162.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.35 141.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 121.083 1.765 . . . . 0.0 112.795 -171.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -124.88 146.34 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.753 1.221 . . . . 0.0 109.594 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -127.43 145.97 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.333 1.453 . . . . 0.0 108.474 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.97 139.86 38.05 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.966 0.506 . . . . 0.0 110.143 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.452 HD13 ' N ' ' C' ' 23' ' ' LEU . 0.0 OUTLIER -97.18 117.67 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 168.067 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.452 ' N ' HD13 ' C' ' 22' ' ' ILE . 8.9 mt -87.37 -47.2 8.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.81 -0.556 . . . . 0.0 109.967 -170.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.76 175.5 46.56 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.392 168.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.0 149.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.309 0.644 . . . . 0.0 110.642 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -142.56 97.7 3.16 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.391 1.076 . . . . 0.0 108.444 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.43 -128.49 15.75 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -169.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -93.46 1.55 56.79 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.871 0.868 . . . . 0.0 112.116 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.71 153.05 22.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.648 0.779 . . . . 0.0 110.729 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.77 127.15 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.081 0.952 . . . . 0.0 109.249 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -85.58 117.91 24.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.14 129.87 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.817 1.247 . . . . 0.0 109.259 -172.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.79 140.17 14.92 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.103 1.335 . . . . 0.0 111.848 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.4 mt -133.65 132.82 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -138.05 90.01 2.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.972 0.415 . . . . 0.0 110.498 -172.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.07 156.42 79.21 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.537 1.135 . . . . 0.0 110.26 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.32 151.67 83.73 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.567 2.178 . . . . 0.0 110.946 170.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.02 -0.94 2.65 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.381 0.672 . . . . 0.0 112.671 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.92 -22.0 66.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.404 1.082 . . . . 0.0 111.319 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.14 148.71 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 124.29 1.036 . . . . 0.0 110.643 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.78 157.01 21.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.794 0.438 . . . . 0.0 111.464 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.66 132.56 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 169.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -154.51 165.24 37.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.841 0.856 . . . . 0.0 111.029 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' D' ' 6' ' ' ARG . 0.7 OUTLIER -80.14 159.11 26.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 166.461 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.03 -27.08 68.87 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.488 0.586 . . . . 0.0 111.745 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.29 -27.94 66.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.319 0.647 . . . . 0.0 112.713 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.7 -37.06 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.629 0.772 . . . . 0.0 110.489 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -52.2 -36.42 52.0 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.25 1.02 . . . . 0.0 112.53 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.62 -28.71 67.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 112.274 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.34 -38.54 71.64 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.628 0.771 . . . . 0.0 111.983 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.475 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.9 mp -67.16 -20.96 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 110.128 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -92.28 -1.22 57.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.481 0.712 . . . . 0.0 112.483 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 -22.7 15.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.399 1.08 . . . . 0.0 112.768 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.88 138.24 4.6 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -172.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? -111.13 174.5 5.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.951 0.901 . . . . 0.0 110.777 -169.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -84.31 -3.44 58.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.82 139.89 37.0 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 123.982 0.913 . . . . 0.0 110.398 171.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -65.44 175.34 4.28 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.04 2.493 . . . . 0.0 113.063 171.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 123.909 0.884 . . . . 0.0 112.505 178.041 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.9 mmm . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.2 111.08 10.58 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.791 2.036 . . . . 0.0 106.738 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.418 HD13 " H5'" ' G' ' 68' ' ' ' G' . 4.4 mp -103.65 139.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.144 0.977 . . . . 0.0 109.839 -169.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -127.6 166.37 18.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.777 1.231 . . . . 0.0 111.709 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.59 110.01 12.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.305 1.442 . . . . 0.0 108.169 168.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' C' ' 44' ' ' ARG . 1.7 mmp_? -122.98 143.64 49.78 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.772 0.429 . . . . 0.0 110.154 172.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -77.4 160.47 28.73 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.261 0.553 . . . . 0.0 110.044 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -55.41 138.14 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.486 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.67 -2.36 86.01 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.987 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.12 165.61 12.33 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.853 1.327 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -123.48 161.28 25.17 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -168.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -150.29 160.8 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 127.19 2.196 . . . . 0.0 108.951 -167.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -142.65 152.98 43.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.72 142.27 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.045 1.338 . . . . 0.0 109.167 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -139.31 48.66 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 123.553 0.597 . . . . 0.0 111.721 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -120.54 8.71 10.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.914 0.886 . . . . 0.0 111.903 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.02 -10.84 2.27 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.09 137.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.774 0.715 . . . . 0.0 110.482 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -121.68 145.94 47.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.443 1.097 . . . . 0.0 109.6 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.91 143.23 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.305 1.442 . . . . 0.0 107.849 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -139.59 135.19 33.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.655 -0.653 . . . . 0.0 110.026 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -89.65 105.84 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 mt -79.4 -30.42 42.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.062 0.545 . . . . 0.0 110.831 -171.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.02 -172.68 40.75 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 117.431 0.105 . . . . 0.0 113.035 170.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.72 160.74 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.401 0.68 . . . . 0.0 110.54 169.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.57 76.07 1.46 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.779 0.832 . . . . 0.0 109.283 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -115.5 4.03 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.47 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 7.3 mp0 -94.83 -5.97 43.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.294 0.638 . . . . 0.0 110.378 172.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.45 152.87 37.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.574 0.702 . . . . 0.0 110.718 168.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -132.36 123.83 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.433 1.493 . . . . 0.0 107.329 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -95.04 111.59 23.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.409 1.084 . . . . 0.0 108.466 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -119.53 129.32 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.49 0.716 . . . . 0.0 109.989 -169.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.09 135.54 12.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.53 138.6 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.121 0.969 . . . . 0.0 108.825 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.14 90.02 2.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.267 0.627 . . . . 0.0 109.842 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.16 155.55 58.15 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.371 1.068 . . . . 0.0 110.02 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.35 151.17 81.19 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.393 2.062 . . . . 0.0 110.665 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.46 -1.01 5.65 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.95 -21.69 66.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.254 1.021 . . . . 0.0 111.309 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.7 160.01 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.375 1.07 . . . . 0.0 110.753 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.65 157.09 16.93 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.477 0.711 . . . . 0.0 112.182 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.28 128.91 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 O-C-N 121.554 -0.716 . . . . 0.0 110.211 168.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -150.07 164.6 35.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.718 0.807 . . . . 0.0 111.616 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.92 156.66 30.35 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.74 -37.08 77.98 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.892 -0.505 . . . . 0.0 111.663 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -65.81 -26.14 67.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.888 0.875 . . . . 0.0 112.932 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -88.09 -45.04 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.917 0.887 . . . . 0.0 110.202 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -48.68 -34.71 12.42 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.25 1.82 . . . . 0.0 112.906 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.69 -24.62 67.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.418 1.087 . . . . 0.0 113.315 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -48.01 19.5 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 119.173 0.897 . . . . 0.0 109.728 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.676 HD12 ' H ' ' D' ' 51' ' ' ILE . 3.1 mp -62.09 -18.83 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.092 2.157 . . . . 0.0 110.697 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.43 -13.22 18.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.98 -7.23 14.14 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.15 -5.31 0.25 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.641 0.638 . . . . 0.0 113.15 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 78.21 155.26 0.15 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 127.47 2.308 . . . . 0.0 112.969 167.343 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.6 t -143.84 -25.91 0.55 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.874 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.67 131.26 8.77 Favored Pre-proline 0 N--CA 1.452 -0.359 0 C-N-CA 123.586 0.754 . . . . 0.0 109.965 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -65.38 -173.21 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.333 2.689 . . . . 0.0 111.892 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 123.436 0.694 . . . . 0.0 112.86 177.048 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -86.59 121.04 28.56 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.196 0.907 . . . . 0.0 111.859 -166.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -105.97 139.99 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.966 0.906 . . . . 0.0 109.363 173.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.26 165.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.402 1.481 . . . . 0.0 111.298 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 105.16 5.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 166.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -122.39 137.65 54.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.288 -173.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -95.71 168.96 10.35 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -57.93 137.79 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.117 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -5.59 84.52 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.173 -0.793 . . . . 0.0 114.353 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -88.27 169.54 11.77 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.879 1.34 . . . . 0.0 111.739 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -134.92 155.97 49.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.486 0.66 . . . . 0.0 112.485 -170.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -140.8 157.46 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.949 1.7 . . . . 0.0 108.263 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -138.25 148.3 44.58 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mt -136.82 139.54 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.778 1.231 . . . . 0.0 109.095 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.62 50.18 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.2 10.05 7.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.065 0.946 . . . . 0.0 112.434 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -132.33 -9.69 3.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.05 135.95 52.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 119.354 0.979 . . . . 0.0 111.157 -170.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -128.25 145.79 50.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.512 1.125 . . . . 0.0 110.217 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -124.86 141.52 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.623 1.569 . . . . 0.0 108.038 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -137.43 126.6 24.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.947 0.499 . . . . 0.0 110.166 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.99 112.92 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 170.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.46 -32.16 42.58 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.976 0.51 . . . . 0.0 110.698 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -174.19 34.69 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.265 0.46 . . . . 0.0 113.419 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.45 157.87 26.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 117.511 0.655 . . . . 0.0 112.571 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -150.06 101.9 3.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.925 1.29 . . . . 0.0 109.101 168.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -116.3 5.56 Favored Glycine 0 CA--C 1.525 0.691 0 O-C-N 121.805 -0.559 . . . . 0.0 112.083 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -90.83 -16.38 28.39 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.604 0.702 . . . . 0.0 111.157 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.7 150.52 29.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.437 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.29 110.03 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 126.419 1.888 . . . . 0.0 106.212 -168.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -89.12 124.59 34.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.09 131.85 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.165 0.586 . . . . 0.0 110.971 -168.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 142.49 16.03 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.391 0.996 . . . . 0.0 111.843 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.23 128.96 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.026 1.331 . . . . 0.0 108.977 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.11 99.5 5.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.983 0.513 . . . . 0.0 109.718 -170.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 155.67 71.14 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.46 1.104 . . . . 0.0 110.434 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.95 159.12 35.17 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.769 2.313 . . . . 0.0 111.888 170.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -69.91 -0.89 8.13 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.273 0.629 . . . . 0.0 112.645 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.96 -22.75 67.05 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.653 1.181 . . . . 0.0 111.482 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.02 157.65 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.329 1.051 . . . . 0.0 110.94 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.66 156.49 16.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.88 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.06 126.99 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.209 0.604 . . . . 0.0 110.223 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -152.97 167.73 28.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.409 0.684 . . . . 0.0 111.891 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -69.11 159.39 33.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -19.8 65.87 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -60.2 -55.49 33.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.422 0.689 . . . . 0.0 110.054 169.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -71.41 -36.01 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.272 0.629 . . . . 0.0 109.966 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.99 -35.54 46.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.315 1.046 . . . . 0.0 112.748 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -61.41 -21.98 64.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.497 0.719 . . . . 0.0 112.528 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.05 -45.47 60.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.397 0.679 . . . . 0.0 109.838 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.484 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.8 mp -64.78 -23.03 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.415 1.486 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -85.23 -40.76 16.27 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.98 -31.87 9.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -166.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.1 -23.63 1.13 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 123.906 0.765 . . . . 0.0 112.99 -169.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.26 166.23 0.2 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 128.129 2.572 . . . . 0.0 113.615 169.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -102.92 -3.92 25.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.757 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.0 135.97 27.49 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.205 1.002 . . . . 0.0 109.836 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -63.17 176.73 1.83 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.146 2.564 . . . . 0.0 113.563 172.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.454 -0.246 0 C-N-CA 124.421 1.088 . . . . 0.0 112.685 178.128 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -95.99 148.32 22.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.75 0.42 . . . . 0.0 111.429 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.97 127.96 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.92 149.59 39.9 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.058 1.343 . . . . 0.0 108.989 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.82 96.86 5.12 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 122.003 0.906 . . . . 0.0 108.649 168.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -109.75 162.24 14.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.825 1.65 . . . . 0.0 109.118 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -114.79 177.05 4.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.74 134.79 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.098 0.475 . . . . 0.0 111.98 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.0 75.65 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 118.815 -0.992 . . . . 0.0 115.42 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 169.21 18.43 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.732 1.766 . . . . 0.0 112.64 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -136.84 143.1 42.92 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.758 1.223 . . . . 0.0 111.979 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.7 156.54 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 126.672 1.989 . . . . 0.0 108.227 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -129.21 147.24 51.04 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.645 0.778 . . . . 0.0 111.86 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.1 143.59 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.511 1.125 . . . . 0.0 109.062 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.18 -135.06 51.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -125.05 10.08 8.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.04 0.936 . . . . 0.0 112.729 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -139.09 -15.98 1.1 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.18 138.51 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.63 1.104 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 50.9 m -132.14 141.26 49.07 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.355 1.062 . . . . 0.0 110.699 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -126.76 124.43 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.874 1.27 . . . . 0.0 109.572 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -119.35 136.43 54.27 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.355 1.062 . . . . 0.0 110.066 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.55 116.83 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.36 -30.69 21.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.975 0.51 . . . . 0.0 111.048 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.08 -175.07 36.07 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 123.185 0.422 . . . . 0.0 113.582 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -118.88 159.49 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 C-N-CA 123.701 0.801 . . . . 0.0 112.046 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.57 89.93 1.67 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.665 1.186 . . . . 0.0 109.174 169.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.6 -102.92 1.26 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -100.24 -19.97 16.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.514 0.657 . . . . 0.0 112.084 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -72.62 143.45 48.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.232 0.539 . . . . 0.0 110.211 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.37 113.79 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -86.81 127.94 35.02 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.55 0.74 . . . . 0.0 109.365 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.7 147.05 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.052 0.941 . . . . 0.0 110.239 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.27 141.61 15.91 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.237 0.922 . . . . 0.0 111.25 170.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -130.82 130.82 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.264 1.026 . . . . 0.0 109.825 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -125.04 106.31 9.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.302 1.041 . . . . 0.0 109.133 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.65 157.91 76.86 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.074 0.949 . . . . 0.0 111.222 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -66.2 160.62 44.07 Favored 'Trans proline' 0 N--CA 1.449 -1.097 0 C-N-CA 122.888 2.392 . . . . 0.0 112.127 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -6.26 12.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 171.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.43 -14.87 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.818 1.247 . . . . 0.0 112.388 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.73 165.12 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.4 162.7 12.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.386 0.674 . . . . 0.0 111.462 171.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.95 127.53 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.576 0.75 . . . . 0.0 110.105 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.18 176.2 12.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.147 0.979 . . . . 0.0 110.091 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.99 163.92 23.87 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.817 -0.552 . . . . 0.0 109.878 168.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.22 -30.23 69.26 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.837 0.455 . . . . 0.0 112.105 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.48 -44.36 80.53 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.04 0.936 . . . . 0.0 111.735 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.96 -29.61 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.689 0.796 . . . . 0.0 110.456 -170.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -50.03 -35.15 23.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.331 1.052 . . . . 0.0 112.563 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.49 -21.88 60.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.297 1.039 . . . . 0.0 112.852 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.64 -46.37 54.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.644 0.657 . . . . 0.0 109.702 174.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.491 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.6 mp -65.83 -23.0 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.202 1.001 . . . . 0.0 110.302 -177.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -85.33 -56.04 3.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.1 -4.5 16.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 -166.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.06 62.48 0.3 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -171.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.698 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.5 OUTLIER -54.17 149.01 10.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.549 1.54 . . . . 0.0 113.714 -165.112 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -88.77 145.49 25.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.574 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 45.23 71.49 1.52 Allowed Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 125.24 1.416 . . . . 0.0 113.006 -173.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.82 -43.56 46.08 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 124.015 3.143 . . . . 0.0 113.934 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 123.563 0.745 . . . . 0.0 110.001 -168.896 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.687 -3.209 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.66 3.46 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 O4'-C1'-N19 112.767 4.567 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C5'-C4'-O4' 114.548 3.82 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 C5'-C4'-C3' 109.432 -4.046 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 C5'-C4'-O4' 115.173 4.266 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 2 C3'-C2'-C1' 96.741 -5.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C3'-C2'-C1' 104.412 3.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 0 O5'-C5'-C4' 113.216 2.154 . 0.022 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 110.028 -3.648 . 0.189 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 111.361 3.161 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C4'-C3' 108.777 2.341 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 110.785 -3.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 100.182 -2.518 . 0.945 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.676 3.476 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 O4'-C1'-N19 110.942 2.742 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 112.863 -1.758 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C5'-C4'-C3' 112.259 -2.161 . 0.254 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 1 C1'-O4'-C4' 105.062 -5.043 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 O4'-C1'-N19 112.539 4.339 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 2 C4'-C3'-C2' 98.425 -4.275 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C5'-C4'-O4' 112.733 2.524 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.447 4.247 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.21 4.01 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 N19-C1'-C2' 108.7 -2.938 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O5'-C5'-C4' 114.282 2.916 . 0.542 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.666 -2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.405 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 111.704 -2.531 . 0.056 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.405 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 111.67 -2.553 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 0 O4'-C1'-N19 111.444 3.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.454 -2.246 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.301 3.101 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 1 O4'-C1'-N19 112.539 4.339 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 99.374 -3.326 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C4'-C3'-C2' 99.525 -3.175 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 111.616 3.416 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 110.991 2.791 . 0.52 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 110.861 2.661 . 0.572 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C3'-C2'-C1' 104.149 2.943 . 0.193 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 113.402 5.202 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 1 C5'-C4'-C3' 109.191 -4.206 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.986 3.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C3'-C2'-C1' 104.964 3.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 2 O4'-C1'-N19 112.825 4.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.245 4.045 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 99.645 -3.055 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 112.354 4.154 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 C3'-C2'-C1' 105.236 4.151 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.611 -3.089 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.299 3.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.343 0 C5'-C4'-C3' 111.009 -2.994 . 0.419 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.403 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.354 1 O5'-C5'-C4' 117.389 5.135 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.987 -2.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.496 4.296 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C5'-C4'-O4' 112.673 2.48 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.717 2.517 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 O4'-C1'-N19 114.297 6.097 . 0.227 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 1 O4'-C1'-N19 112.624 4.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 2 O4'-C1'-N19 112.689 4.489 . 0.01 4d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 111.573 3.373 . 0.331 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.076 2.876 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C3'-C2'-C1' 104.416 3.24 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.418 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.334 0 C5'-C4'-C3' 110.28 -3.48 . 0.54 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.418 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.615 -3.085 . 0.129 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C3'-C2'-C1' 103.827 2.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 0 C5'-C4'-O4' 112.24 2.171 . 0.143 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 C5'-C4'-C3' 106.117 -6.256 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.418 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 P-O3'-C3' 126.062 5.301 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 99.937 -2.763 . 0.952 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.439 4.239 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.383 3.183 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C4'-C3'-C2' 100.734 -1.966 . 0.634 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 109.43 21.34 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.584 0.753 . . . . 0.0 109.326 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.67 137.14 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.022 0.929 . . . . 0.0 109.114 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -132.44 156.19 47.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.192 0.997 . . . . 0.0 109.693 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -115.96 100.96 8.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.65 130.09 56.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.603 0.761 . . . . 0.0 110.326 -169.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -94.09 154.45 17.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 HG13 ' A' ' 25' ' ' VAL . 31.6 m -63.58 134.76 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 119.594 -0.843 . . . . 0.0 112.049 -169.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 -2.71 68.32 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.705 1.145 . . . . 0.0 114.198 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -100.21 171.01 8.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.84 1.32 . . . . 0.0 111.664 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -136.15 151.34 49.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.8 mm -112.9 158.5 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 125.908 1.683 . . . . 0.0 109.781 169.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.4 140.27 52.29 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.966 1.306 . . . . 0.0 110.027 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mt -134.58 130.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.035 0.934 . . . . 0.0 109.643 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.66 -127.63 28.73 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.05 2.0 5.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.87 0.868 . . . . 0.0 112.101 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -147.55 -7.87 0.44 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -105.6 136.64 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.417 1.008 . . . . 0.0 110.431 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -129.34 143.66 50.93 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.841 0.856 . . . . 0.0 109.249 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -122.78 141.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.645 1.178 . . . . 0.0 108.235 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -135.56 127.74 29.98 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.269 0.486 . . . . 0.0 110.142 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -79.37 106.45 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.25 -35.42 63.81 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.67 -168.0 33.21 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 166.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HG11 ' A' ' 8' ' ' VAL . 14.4 m -88.23 163.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.813 0.845 . . . . 0.0 112.422 -169.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 m -148.47 61.02 1.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.082 1.353 . . . . 0.0 109.546 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.84 -121.87 9.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -171.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.13 -0.36 44.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.61 0.764 . . . . 0.0 111.839 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.02 163.08 12.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.88 0.848 . . . . 0.0 111.559 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.6 t -140.91 128.82 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.739 1.616 . . . . 0.0 108.139 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -107.0 101.94 11.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.77 0.828 . . . . 0.0 110.373 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -108.79 132.06 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.413 1.485 . . . . 0.0 109.542 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.98 141.71 15.35 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.044 0.831 . . . . 0.0 111.876 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.9 mt -115.57 129.95 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.332 1.453 . . . . 0.0 108.183 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -119.69 74.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.232 1.015 . . . . 0.0 109.379 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.08 153.1 41.18 Favored Pre-proline 0 N--CA 1.454 -0.264 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.612 171.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.1 156.31 47.14 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.604 2.203 . . . . 0.0 110.467 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -69.46 -2.65 11.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.86 -24.74 63.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.915 0.886 . . . . 0.0 111.884 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -117.55 144.08 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.901 0.858 . . . . 0.0 111.74 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.09 143.0 30.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 110.85 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.64 130.33 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 122.678 0.391 . . . . 0.0 110.336 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -151.54 -175.89 5.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.283 1.033 . . . . 0.0 110.064 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.96 163.18 25.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 170.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -63.14 -26.45 68.82 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.31 -23.68 65.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 112.627 172.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -120.19 -26.52 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.885 1.274 . . . . 0.0 111.127 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.33 -31.08 72.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.335 -0.853 . . . . 0.0 110.498 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.52 -18.46 61.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.723 0.809 . . . . 0.0 111.672 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.22 -36.68 58.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.132 0.973 . . . . 0.0 110.789 169.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.0 mt -63.87 -51.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.662 0.785 . . . . 0.0 109.251 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.05 5.16 26.96 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.704 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -21.11 65.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.68 0.392 . . . . 0.0 112.038 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.86 -6.57 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 124.217 0.913 . . . . 0.0 113.074 174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -93.07 90.89 7.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.607 1.194 . . . . 0.0 111.321 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.4 p -126.97 -33.47 2.45 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.051 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.0 153.99 48.37 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.736 1.214 . . . . 0.0 110.031 168.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -70.54 163.79 37.62 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.025 2.483 . . . . 0.0 112.008 175.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 124.789 1.236 . . . . 0.0 110.643 -176.261 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -114.44 121.92 45.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.416 HD11 " H5'" ' G' ' 52' ' ' ' A' . 55.6 mt -118.01 141.41 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -165.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.39 139.17 46.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.864 1.265 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -116.23 107.75 15.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -131.16 159.31 38.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.754 0.822 . . . . 0.0 110.868 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -87.51 164.85 15.91 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.064 0.459 . . . . 0.0 112.183 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.84 134.72 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.078 0.466 . . . . 0.0 110.584 172.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.67 -3.06 67.77 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.637 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.6 162.21 18.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.087 1.444 . . . . 0.0 112.632 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -127.22 143.58 51.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.268 1.027 . . . . 0.0 111.651 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 8.4 mt -136.07 154.33 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.348 1.459 . . . . 0.0 109.298 -170.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -138.0 144.84 41.28 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -169.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.85 127.99 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.455 1.102 . . . . 0.0 109.83 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -135.59 51.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.7 4.77 6.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.756 0.822 . . . . 0.0 112.788 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -110.81 -21.76 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.72 136.01 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-N 119.023 0.829 . . . . 0.0 111.644 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -133.02 150.91 52.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.04 1.336 . . . . 0.0 109.761 170.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -130.17 146.72 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.125 1.77 . . . . 0.0 108.058 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -140.49 130.28 24.44 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.006 -0.434 . . . . 0.0 110.042 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.02 108.58 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.03 -29.92 43.87 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.09 -0.381 . . . . 0.0 110.884 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.49 -179.67 32.16 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 122.791 0.234 . . . . 0.0 112.688 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.62 153.84 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 121.237 0.542 . . . . 0.0 111.082 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -136.79 72.92 1.43 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.76 1.224 . . . . 0.0 108.718 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.3 -112.87 3.66 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.86 16.49 21.26 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.401 0.62 . . . . 0.0 111.712 169.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -99.0 157.24 16.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.374 1.07 . . . . 0.0 108.952 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -137.22 122.29 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.337 0.255 . . . . 0.0 110.328 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -88.24 119.96 29.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.087 0.955 . . . . 0.0 109.762 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.27 132.51 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.294 1.038 . . . . 0.0 109.88 -169.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.54 140.01 14.81 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -121.57 132.34 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.778 0.799 . . . . 0.0 109.514 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.41 75.01 1.61 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.208 -168.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.5 156.5 49.18 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.113 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -56.96 153.12 39.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.619 1.546 . . . . 0.0 110.731 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -68.18 -0.83 5.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.162 0.585 . . . . 0.0 112.051 172.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.93 -28.62 69.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.92 1.688 . . . . 0.0 112.584 171.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -106.72 144.1 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.237 1.015 . . . . 0.0 110.769 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.17 141.59 31.82 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.592 0.711 . . . . 0.0 112.304 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.54 98.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.904 -167.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.73 162.04 40.56 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.814 -0.554 . . . . 0.0 111.507 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.21 159.33 29.28 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -56.13 -33.07 64.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.651 0.781 . . . . 0.0 112.471 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.35 -55.09 31.96 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.403 1.001 . . . . 0.0 110.235 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.91 -45.52 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 110.045 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -51.03 -40.09 57.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.058 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.39 -25.47 65.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -78.8 -41.42 30.42 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.977 0.808 . . . . 0.0 110.241 172.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.23 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.26 4.72 16.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.98 -17.0 51.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.122 0.569 . . . . 0.0 111.861 169.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.62 47.64 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.836 169.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.91 -176.42 2.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.656 0.728 . . . . 0.0 112.501 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -128.64 179.54 5.63 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.094 1.358 . . . . 0.0 109.474 167.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.11 121.76 1.6 Allowed Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 124.445 1.098 . . . . 0.0 111.744 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.71 153.3 30.71 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.656 2.904 . . . . 0.0 113.907 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.677 1.191 . . . . 0.0 112.288 169.907 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 109.7 16.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.062 1.745 . . . . 0.0 106.292 164.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.49 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.739 0.816 . . . . 0.0 109.757 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.7 134.91 50.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.53 0.732 . . . . 0.0 109.473 167.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -89.51 139.13 30.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.774 0.829 . . . . 0.0 109.253 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 134.48 21.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.175 -0.328 . . . . 0.0 111.847 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.8 tptm -76.83 152.9 35.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.634 0.773 . . . . 0.0 110.193 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -58.35 138.68 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 121.768 -0.583 . . . . 0.0 111.952 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.88 82.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.59 1.09 . . . . 0.0 114.193 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.31 169.4 12.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.856 1.328 . . . . 0.0 112.983 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -125.79 155.29 41.3 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.33 1.052 . . . . 0.0 112.779 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mt -143.71 153.59 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.642 1.977 . . . . 0.0 108.81 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -124.66 148.79 47.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.104 0.962 . . . . 0.0 111.767 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -135.41 130.85 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.703 1.201 . . . . 0.0 108.969 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.53 -137.74 45.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -123.95 10.02 8.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.099 0.96 . . . . 0.0 111.864 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -119.07 -17.47 8.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.435 1.094 . . . . 0.0 113.097 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.19 139.79 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 118.784 0.72 . . . . 0.0 111.138 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -129.2 141.15 51.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.674 1.19 . . . . 0.0 109.228 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -122.05 141.58 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.798 1.239 . . . . 0.0 108.491 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.16 132.16 35.62 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.588 0.355 . . . . 0.0 110.104 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -87.01 117.57 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -94.56 -35.12 12.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.017 -0.427 . . . . 0.0 110.168 -172.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.07 38.76 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 169.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -110.99 154.19 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 123.616 0.766 . . . . 0.0 110.322 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -151.62 107.95 3.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.308 1.043 . . . . 0.0 108.796 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.04 -130.82 30.35 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -169.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -92.6 1.29 57.34 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.898 0.879 . . . . 0.0 112.17 172.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.99 153.11 21.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.069 0.948 . . . . 0.0 110.752 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 36.5 t -134.5 124.19 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.047 0.939 . . . . 0.0 108.838 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.6 ttm180 -80.69 115.23 20.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -122.12 130.19 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.694 1.197 . . . . 0.0 109.259 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.23 136.93 12.96 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 124.003 0.811 . . . . 0.0 111.72 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -122.33 121.07 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.198 0.999 . . . . 0.0 108.901 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -120.27 95.52 4.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.977 0.511 . . . . 0.0 110.168 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.13 157.25 78.76 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 124.303 1.041 . . . . 0.0 110.115 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.59 154.32 65.78 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.698 2.265 . . . . 0.0 111.411 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.6 -1.01 3.21 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.424 0.689 . . . . 0.0 112.566 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.9 -22.39 66.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.207 1.003 . . . . 0.0 111.37 169.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.68 147.59 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.008 0.923 . . . . 0.0 110.736 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.19 156.3 23.27 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.807 0.443 . . . . 0.0 111.102 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.01 129.38 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.062 0.545 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -155.8 165.94 35.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.569 0.622 . . . . 0.0 112.071 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.62 162.03 25.54 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 166.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 123.237 0.615 . . . . 0.0 112.062 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.84 -45.31 82.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.852 0.861 . . . . 0.0 111.467 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -91.37 -30.09 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.834 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.589 ' HA ' HD13 ' C' ' 51' ' ' ILE . 36.5 t80 -48.77 -39.82 26.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.217 0.607 . . . . 0.0 111.594 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.31 -20.82 2.96 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.59 1.956 . . . . 0.0 114.137 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -87.19 -39.42 15.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 172.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp -49.97 -41.75 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 125.454 1.501 . . . . 0.0 112.661 -168.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 2.01 29.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 126.394 1.878 . . . . 0.0 110.083 -168.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.49 -15.47 52.32 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.301 1.84 . . . . 0.0 112.915 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.18 125.37 4.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -169.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.15 161.56 14.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.471 0.709 . . . . 0.0 111.692 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.6 p -86.73 150.82 23.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.936 0.894 . . . . 0.0 111.631 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.42 72.23 1.23 Allowed Pre-proline 0 CA--C 1.531 0.236 0 C-N-CA 125.693 1.597 . . . . 0.0 113.388 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.34 174.41 6.2 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.898 2.399 . . . . 0.0 113.476 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 124.375 1.07 . . . . 0.0 112.914 -178.899 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.538 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.3 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.42 109.67 14.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.598 1.959 . . . . 0.0 106.533 166.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.538 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.58 135.26 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.452 1.101 . . . . 0.0 109.103 -176.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -121.36 166.94 13.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.481 1.112 . . . . 0.0 110.491 172.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.16 109.83 14.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 168.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.52 127.51 54.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.238 -0.289 . . . . 0.0 110.309 -172.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -71.88 153.59 41.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.36 135.35 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.223 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -2.45 84.97 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.283 0.944 . . . . 0.0 114.257 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.94 171.38 9.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.137 1.469 . . . . 0.0 111.974 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -129.9 159.67 35.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -168.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mt -143.23 159.22 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 127.259 2.223 . . . . 0.0 108.607 -171.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -137.39 150.48 47.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 111.918 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -134.03 139.61 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.674 1.19 . . . . 0.0 109.11 177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.36 -135.69 51.65 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -122.37 3.29 9.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.012 0.925 . . . . 0.0 111.981 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.74 -11.83 3.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -170.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.61 137.26 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.679 0.672 . . . . 0.0 110.513 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -120.03 149.74 41.67 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.553 1.141 . . . . 0.0 109.487 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.38 145.97 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.63 1.572 . . . . 0.0 107.706 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -141.96 137.03 30.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.757 -0.589 . . . . 0.0 109.833 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.87 98.92 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.42 -30.54 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.583 -0.698 . . . . 0.0 111.1 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -173.66 40.59 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.592 -0.337 . . . . 0.0 113.636 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 m -112.45 159.56 12.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.522 0.729 . . . . 0.0 111.176 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -145.24 76.67 1.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.873 0.869 . . . . 0.0 109.909 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.23 -116.21 4.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.59 -3.76 45.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.074 0.55 . . . . 0.0 110.601 169.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.407 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 73.9 mt-30 -76.09 158.61 31.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.456 0.646 . . . . 0.0 111.655 169.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.47 125.57 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.587 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -82.53 114.59 21.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.42 121.0 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.729 0.812 . . . . 0.0 109.075 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.13 134.54 12.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -125.44 136.47 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.11 89.97 2.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.9 158.77 46.93 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 124.645 1.178 . . . . 0.0 109.424 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.85 150.15 87.22 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.72 1.613 . . . . 0.0 110.321 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -68.77 -1.06 6.21 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.05 -23.53 66.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.128 1.371 . . . . 0.0 111.81 168.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.26 159.9 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.057 0.943 . . . . 0.0 110.987 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.12 157.08 16.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.258 0.623 . . . . 0.0 112.321 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.26 124.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 168.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -149.96 156.37 41.61 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.577 0.751 . . . . 0.0 110.969 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -68.5 157.06 36.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 O-C-N 121.921 -0.487 . . . . 0.0 110.445 169.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.36 -36.16 73.05 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.958 0.903 . . . . 0.0 112.893 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.79 -18.84 64.25 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -95.64 -36.85 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.338 1.055 . . . . 0.0 111.069 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -49.44 -42.83 43.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.307 0.643 . . . . 0.0 111.761 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.68 -23.58 64.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.392 1.077 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 67.2 mtt180 -79.15 -42.96 24.96 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.815 0.846 . . . . 0.0 110.873 177.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.541 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.0 mp -62.76 -32.0 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 110.224 172.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.1 1.98 41.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.449 0.7 . . . . 0.0 111.226 175.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -83.62 -3.02 57.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.226 1.41 . . . . 0.0 112.327 170.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.99 44.03 0.97 Allowed Glycine 0 CA--C 1.526 0.755 0 CA-C-N 118.459 0.572 . . . . 0.0 113.724 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.422 ' C ' HD12 ' D' ' 55' ' ' LEU . 4.1 pp -163.93 -176.0 4.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 117.809 0.805 . . . . 0.0 111.958 -168.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 58.8 m -153.6 107.31 3.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.419 1.088 . . . . 0.0 108.78 166.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 36.27 83.89 0.19 Allowed Pre-proline 0 CA--C 1.531 0.23 0 C-N-CA 126.904 2.082 . . . . 0.0 114.535 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -63.01 169.86 8.39 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.119 2.546 . . . . 0.0 114.441 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.454 -0.254 0 C-N-CA 124.746 1.218 . . . . 0.0 113.166 -174.045 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -128.97 119.46 24.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.688 1.195 . . . . 0.0 109.473 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.62 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.287 1.035 . . . . 0.0 109.995 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -134.64 164.98 26.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.831 1.652 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -133.17 99.9 4.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.73 132.93 52.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.367 1.467 . . . . 0.0 112.147 -168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -80.59 158.96 25.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.786 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -62.47 136.76 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.4 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.14 86.44 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.0 0.809 . . . . 0.0 114.097 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -96.03 169.71 9.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.713 1.256 . . . . 0.0 111.366 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -130.64 159.75 36.27 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -169.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 99.0 mt -135.92 156.15 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 127.108 2.163 . . . . 0.0 107.97 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.84 147.96 48.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.634 -0.666 . . . . 0.0 112.575 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -138.26 137.77 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.588 1.155 . . . . 0.0 109.177 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.32 50.6 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -125.67 7.41 7.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.701 0.801 . . . . 0.0 112.171 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -132.16 -5.83 3.45 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.77 134.91 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.112 0.869 . . . . 0.0 110.86 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -127.2 142.85 51.38 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.819 1.248 . . . . 0.0 109.375 171.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -122.68 141.23 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.015 1.326 . . . . 0.0 107.826 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.4 m -133.41 129.35 37.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.403 0.281 . . . . 0.0 110.271 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.51 106.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.36 -27.74 52.71 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.954 0.502 . . . . 0.0 110.942 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -173.97 35.02 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 123.61 0.624 . . . . 0.0 113.451 169.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -119.58 158.01 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.561 0.744 . . . . 0.0 112.275 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.97 89.99 1.65 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.824 1.249 . . . . 0.0 109.094 168.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -115.11 6.05 Favored Glycine 0 CA--C 1.526 0.734 0 O-C-N 121.62 -0.675 . . . . 0.0 112.043 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -86.68 -21.83 26.45 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 117.777 0.789 . . . . 0.0 111.16 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -76.43 149.43 36.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.2 1.0 . . . . 0.0 110.94 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.13 112.78 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 -169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -86.74 124.36 32.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.01 135.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 122.711 0.404 . . . . 0.0 110.84 -168.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.5 141.93 15.4 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 124.554 1.073 . . . . 0.0 111.39 171.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -128.89 121.94 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.139 1.375 . . . . 0.0 108.238 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -123.64 98.91 6.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 154.66 71.06 Favored Pre-proline 0 N--CA 1.451 -0.383 0 C-N-CA 124.854 1.261 . . . . 0.0 109.008 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -55.95 151.85 39.35 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 121.783 1.655 . . . . 0.0 111.511 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -65.93 -5.93 10.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.085 0.954 . . . . 0.0 111.821 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.8 -30.0 68.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.719 2.007 . . . . 0.0 113.057 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.93 155.15 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.666 0.786 . . . . 0.0 110.297 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 142.28 31.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.6 135.75 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.789 0.436 . . . . 0.0 110.298 169.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -151.89 167.38 28.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.567 0.747 . . . . 0.0 110.322 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -65.68 154.66 38.25 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -61.54 -27.15 68.41 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.782 0.433 . . . . 0.0 111.241 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.63 -41.62 86.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.949 1.3 . . . . 0.0 112.512 171.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -86.97 -34.14 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.556 1.142 . . . . 0.0 109.942 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.426 1.09 . . . . 0.0 112.347 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -67.77 -24.66 65.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.65 0.78 . . . . 0.0 112.636 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.21 -23.02 60.33 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.499 0.719 . . . . 0.0 110.695 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 81.5 mt -95.88 -46.97 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 124.357 1.063 . . . . 0.0 109.398 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -71.58 3.07 4.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.73 64.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 112.266 169.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.06 31.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.7 0 CA-C-O 119.398 -0.668 . . . . 0.0 114.025 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -157.21 174.35 15.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.171 0.986 . . . . 0.0 112.299 -168.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.25 5.27 3.51 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.524 0.729 . . . . 0.0 111.534 169.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.81 134.05 18.0 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.18 0.992 . . . . 0.0 109.79 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -61.49 175.81 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.3 2.666 . . . . 0.0 113.905 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.454 -0.266 0 C-N-CA 124.518 1.127 . . . . 0.0 112.871 -177.746 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -99.05 147.21 25.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.653 0.381 . . . . 0.0 111.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.82 139.13 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.715 0.806 . . . . 0.0 109.148 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.12 164.82 27.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 109.825 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.18 96.89 4.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -105.01 162.13 13.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.151 1.38 . . . . 0.0 110.786 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -123.51 169.5 11.35 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.51 135.58 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.561 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.09 -10.79 73.18 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.708 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.94 174.4 8.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.305 1.552 . . . . 0.0 112.396 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -137.55 159.75 41.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -134.41 149.42 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 125.985 1.714 . . . . 0.0 108.533 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -114.39 148.01 38.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.989 0.916 . . . . 0.0 111.55 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 76.6 mt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.749 1.22 . . . . 0.0 109.045 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -131.8 50.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.73 10.04 5.52 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.621 0.769 . . . . 0.0 112.79 174.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -130.04 -19.05 3.26 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.82 140.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.095 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -130.42 144.5 51.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.394 1.078 . . . . 0.0 110.473 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -122.23 142.43 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.118 1.767 . . . . 0.0 108.206 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -138.3 136.71 36.71 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.646 0.779 . . . . 0.0 110.432 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -95.56 98.14 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.99 -32.51 72.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.137 -0.352 . . . . 0.0 110.509 -172.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.21 170.23 18.54 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.677 0.656 . . . . 0.0 112.94 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.03 149.38 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.554 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -139.87 89.85 2.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.034 0.934 . . . . 0.0 108.748 168.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.01 -120.11 13.9 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -172.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.03 -17.75 42.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.656 0.782 . . . . 0.0 112.36 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.87 151.26 25.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.704 0.764 . . . . 0.0 110.445 171.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -135.97 119.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -86.65 124.18 32.64 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.47 140.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.272 1.029 . . . . 0.0 109.741 -168.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 143.0 17.95 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.872 0.749 . . . . 0.0 111.243 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.83 139.38 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.52 1.128 . . . . 0.0 109.467 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -129.13 108.08 10.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.426 1.091 . . . . 0.0 109.25 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.74 158.5 75.25 Favored Pre-proline 0 N--CA 1.454 -0.229 0 C-N-CA 124.067 0.947 . . . . 0.0 111.09 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.28 160.03 40.72 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.713 2.275 . . . . 0.0 111.996 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -59.75 -16.68 29.31 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.219 1.008 . . . . 0.0 113.315 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.57 -10.15 59.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.188 1.395 . . . . 0.0 112.193 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -129.07 165.12 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.142 0.977 . . . . 0.0 110.699 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.06 161.14 13.91 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.431 0.692 . . . . 0.0 111.396 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.83 125.33 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.402 0.681 . . . . 0.0 110.519 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -151.99 177.02 10.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.303 1.041 . . . . 0.0 110.167 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -78.62 163.45 25.47 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 168.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.17 -30.53 68.25 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.965 0.506 . . . . 0.0 112.205 -172.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.54 -43.51 79.96 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.114 0.966 . . . . 0.0 111.762 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -90.9 -31.62 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.593 0.757 . . . . 0.0 110.525 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -48.8 -35.56 14.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.621 1.168 . . . . 0.0 112.774 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.7 -21.92 55.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.518 1.127 . . . . 0.0 112.916 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.59 -46.39 32.1 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.417 0.687 . . . . 0.0 109.818 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.515 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.5 mp -66.74 -24.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.579 1.551 . . . . 0.0 110.483 -176.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -85.19 -20.44 30.18 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.1 -48.99 3.19 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -169.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.17 -10.82 0.23 Allowed Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.538 0.59 . . . . 0.0 113.814 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.433 HD12 ' O ' ' F' ' 51' ' ' ILE . 0.0 OUTLIER 67.39 -176.86 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.03 2.132 . . . . 0.0 112.731 168.039 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -78.9 172.76 13.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.906 169.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.28 124.08 37.81 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.443 0.697 . . . . 0.0 111.405 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.72 143.57 94.97 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.316 2.677 . . . . 0.0 113.188 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 125.431 1.492 . . . . 0.0 113.349 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.403 3.203 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.356 3.156 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 112.023 3.823 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.407 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.486 3.286 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.324 3.124 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 C5'-C4'-O4' 114.026 3.447 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.434 ' C5 ' ' HD2' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O4'-C1'-N19 111.957 3.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C3'-C2'-C1' 103.886 2.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 O5'-C5'-C4' 113.343 2.245 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.369 0 C5'-C4'-C3' 110.188 -3.541 . 0.06 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.907 2.707 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.471 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C5'-C4'-C3' 111.256 -2.83 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C5'-C4'-C3' 108.519 -4.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.778 -2.922 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.862 3.662 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 O4'-C1'-N19 110.306 2.106 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 113.681 5.481 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 2 O4'-C1'-N19 112.999 4.799 . 0.655 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 3 O4'-C1'-N19 114.836 6.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.925 4.725 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 2 O4'-C1'-N19 112.762 4.562 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 111.308 -2.794 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O4'-C1'-N19 112.489 4.289 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 112.116 3.916 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 N19-C1'-C2' 109.001 -2.75 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 111.273 3.073 . 0.563 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 C5'-C4'-C3' 111.677 -2.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.433 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-C3' 112.014 -2.324 . 0.053 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.433 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.659 -2.561 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 111.803 3.603 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.419 -2.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 111.492 3.292 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.461 4.261 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.276 -3.424 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.084 -3.616 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 112.076 3.876 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 O4'-C1'-N19 113.533 5.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 110.943 -3.038 . 0.723 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 0 C3'-C2'-C1' 103.95 2.722 . 0.168 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 O4'-C1'-N19 113.165 4.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.459 1 C5'-C4'-C3' 109.157 -4.229 . 0.104 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 112.066 3.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.884 3.684 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 112.844 4.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.643 4.443 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.206 3.006 . 0.396 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 1 O4'-C1'-N19 112.232 4.032 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C3'-C2'-C1' 104.537 3.375 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 99.382 -3.318 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.178 2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C5'-C4'-C3' 111.461 -2.693 . 0.429 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.416 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.258 1 O5'-C5'-C4' 117.175 4.982 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C5'-C4'-C3' 112.009 -2.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 111.865 3.665 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.871 -2.829 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 111.547 3.347 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C5'-C4'-C3' 110.833 -3.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 111.822 -2.452 . 0.146 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 112.121 3.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.539 3.339 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.49 3.29 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 C3'-C2'-C1' 105.149 4.054 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-O4' 114.481 3.772 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 P-O3'-C3' 122.922 2.685 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C3'-C2'-C1' 104.078 2.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 0 C5'-C4'-C3' 111.273 -2.818 . 0.157 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 2 C5'-C4'-C3' 105.658 -6.562 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.43 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.243 1 P-O3'-C3' 125.389 4.741 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 99.806 -2.894 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 O4'-C1'-N19 112.289 4.089 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.295 3.095 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.565 4.365 . 0.271 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 109.77 21.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.14 118.91 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.14 129.4 56.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.677 0.751 . . . . 0.0 108.974 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -81.03 141.05 34.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.597 1.159 . . . . 0.0 108.425 171.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' CZ ' HG12 ' A' ' 12' ' ' ILE . 8.7 tpt180 -128.28 161.32 29.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.423 1.489 . . . . 0.0 109.279 -167.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -139.28 150.01 44.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 168.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.0 t -49.67 124.96 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 122.258 0.223 . . . . 0.0 110.706 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 -5.9 58.39 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.563 1.077 . . . . 0.0 114.764 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.94 159.21 17.76 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.87 1.335 . . . . 0.0 112.185 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -130.59 143.18 50.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.7 mm -117.69 153.7 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 125.338 1.455 . . . . 0.0 109.441 175.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -123.38 136.33 54.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.139 0.975 . . . . 0.0 110.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 mt -129.71 130.47 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.211 1.004 . . . . 0.0 109.771 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.83 -130.4 36.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -124.87 1.08 8.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.297 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -134.45 -19.81 1.87 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.01 132.34 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 119.112 0.869 . . . . 0.0 110.478 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -127.08 143.97 51.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.799 0.839 . . . . 0.0 109.485 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -124.87 142.11 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.408 1.083 . . . . 0.0 108.417 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -135.35 133.8 39.15 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.419 0.688 . . . . 0.0 110.52 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -87.7 98.09 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 172.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -25.94 62.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -174.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.55 -167.96 37.96 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-N 117.794 0.27 . . . . 0.0 113.68 168.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.23 159.12 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 124.102 0.961 . . . . 0.0 111.305 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 m -138.99 74.7 1.48 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.31 1.044 . . . . 0.0 109.865 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.17 -116.63 5.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.6 -1.8 32.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.452 0.701 . . . . 0.0 111.804 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -98.91 157.11 16.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.697 0.761 . . . . 0.0 111.971 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.21 125.4 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.833 1.653 . . . . 0.0 108.323 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttm105 -111.09 101.88 10.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 110.283 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -110.63 131.09 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.366 1.466 . . . . 0.0 109.581 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.44 134.69 11.89 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 169.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -107.69 127.61 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.948 1.299 . . . . 0.0 108.117 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -114.84 74.99 0.9 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.341 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.84 152.78 40.29 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 114.199 -1.364 . . . . 0.0 110.493 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -72.52 156.59 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.489 2.126 . . . . 0.0 110.51 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -69.59 -0.96 7.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.98 -30.49 71.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.695 0.798 . . . . 0.0 111.117 168.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -118.67 143.97 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.831 0.852 . . . . 0.0 111.396 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.99 28.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.721 0.808 . . . . 0.0 110.656 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.79 129.34 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 122.633 0.373 . . . . 0.0 110.301 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -150.52 -175.99 5.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.102 1.361 . . . . 0.0 109.516 -170.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.49 168.06 18.87 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 172.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.78 -33.82 74.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.213 1.005 . . . . 0.0 112.752 -169.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.62 -26.09 42.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.166 1.387 . . . . 0.0 112.731 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -115.71 -25.67 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.596 1.558 . . . . 0.0 110.819 -174.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.89 -31.54 72.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.328 -0.857 . . . . 0.0 110.466 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.83 -19.3 61.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.09 0.956 . . . . 0.0 111.309 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.48 -35.94 58.12 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.449 1.1 . . . . 0.0 111.034 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.88 -52.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.703 0.801 . . . . 0.0 109.24 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -84.15 5.2 27.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.884 0.874 . . . . 0.0 112.643 -173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -22.84 66.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.852 0.461 . . . . 0.0 112.128 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.28 -4.45 2.04 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.04 0.829 . . . . 0.0 113.286 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -92.6 90.82 7.28 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 122.15 0.976 . . . . 0.0 111.283 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.6 p -129.95 134.01 47.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.729 -0.607 . . . . 0.0 111.128 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.89 148.86 62.07 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 122.906 0.482 . . . . 0.0 110.795 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -71.46 170.83 17.5 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.734 2.289 . . . . 0.0 112.233 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.58 1.152 . . . . 0.0 112.28 -174.218 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.0 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.58 120.48 42.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.409 HD11 " H5'" ' G' ' 52' ' ' ' A' . 57.9 mt -116.71 139.35 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.791 0.437 . . . . 0.0 111.725 -166.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -132.33 139.77 48.28 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.632 1.173 . . . . 0.0 110.266 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.6 m -112.89 100.91 9.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -125.22 152.91 43.93 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.478 0.711 . . . . 0.0 110.901 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -92.62 169.03 10.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -62.27 134.35 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 110.635 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.31 -3.22 75.73 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.508 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -82.35 160.26 22.88 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 119.041 1.42 . . . . 0.0 111.775 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -130.76 147.88 52.48 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.928 0.891 . . . . 0.0 111.548 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 30.1 mt -134.69 156.02 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.686 1.594 . . . . 0.0 109.397 -170.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -139.16 144.09 38.43 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.537 -0.727 . . . . 0.0 112.588 -170.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -133.32 127.92 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.395 1.078 . . . . 0.0 109.701 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.58 50.79 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.09 5.0 7.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.779 0.832 . . . . 0.0 112.913 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -114.99 -20.73 10.39 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.65 135.39 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 119.144 0.884 . . . . 0.0 111.24 -169.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.8 m -134.56 151.01 50.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.786 1.235 . . . . 0.0 110.07 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.69 147.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.271 1.829 . . . . 0.0 108.194 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m -141.2 130.18 23.21 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.786 0.435 . . . . 0.0 110.215 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.39 107.37 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 171.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.442 HD22 ' C2 ' ' G' ' 30' ' ' ' C' . 29.8 mt -76.15 -31.92 58.81 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.171 -0.33 . . . . 0.0 111.056 -178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.22 -175.62 36.98 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-O 120.413 -0.104 . . . . 0.0 113.191 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -113.11 153.9 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.332 0.587 . . . . 0.0 111.477 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -137.66 72.83 1.42 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.948 1.299 . . . . 0.0 108.709 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.86 -114.6 4.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.32 15.5 23.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.566 0.698 . . . . 0.0 111.426 169.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -98.94 159.75 14.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.968 167.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.1 t -144.36 118.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.881 0.872 . . . . 0.0 108.825 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.26 34.0 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.291 1.037 . . . . 0.0 109.611 -176.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.13 137.07 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 123.544 0.738 . . . . 0.0 111.151 -168.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.56 142.31 16.02 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 123.755 0.693 . . . . 0.0 112.173 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -126.51 131.91 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.082 0.953 . . . . 0.0 109.082 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -133.07 79.83 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.821 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.75 58.96 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.653 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -60.3 153.17 61.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 121.711 1.607 . . . . 0.0 109.341 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -70.1 -0.85 8.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 122.111 0.958 . . . . 0.0 111.997 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.87 -21.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.928 1.691 . . . . 0.0 110.95 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.49 144.08 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.141 1.376 . . . . 0.0 109.527 175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.08 27.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.32 116.01 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.186 0.994 . . . . 0.0 109.683 171.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.437 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -145.52 160.84 41.02 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.777 1.231 . . . . 0.0 110.811 169.394 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.0 ptt-85 -67.91 156.69 36.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.725 0.41 . . . . 0.0 111.314 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.46 -40.05 74.21 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.81 -18.67 65.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.24 -50.47 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.939 0.896 . . . . 0.0 110.567 172.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.08 -35.85 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.452 1.101 . . . . 0.0 111.874 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -71.6 -20.81 61.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -79.39 -39.54 32.27 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.482 1.037 . . . . 0.0 110.089 168.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' B' ' 55' ' ' LEU . 90.5 mt -64.44 -40.88 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -176.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -79.74 4.98 14.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.64 -19.26 45.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.042 0.537 . . . . 0.0 111.573 168.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.22 46.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 CA-C-O 119.396 -0.669 . . . . 0.0 114.439 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.03 -175.69 2.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.973 0.886 . . . . 0.0 112.844 -168.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.6 p -126.39 178.41 5.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.373 1.469 . . . . 0.0 109.367 167.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.16 118.64 1.16 Allowed Pre-proline 0 N--CA 1.455 -0.21 0 C-N-CA 124.591 1.156 . . . . 0.0 111.676 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -67.08 173.63 8.14 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.101 1.867 . . . . 0.0 113.96 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 124.322 1.049 . . . . 0.0 112.373 175.074 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.216 -0.421 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.25 111.4 22.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 166.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.75 134.39 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.941 0.896 . . . . 0.0 109.867 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -129.03 135.71 49.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.599 1.16 . . . . 0.0 109.639 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.5 p -94.89 144.3 25.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.404 0.282 . . . . 0.0 110.789 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.1 123.95 12.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.539 0.336 . . . . 0.0 110.828 -173.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -71.8 149.94 44.83 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 124.196 0.998 . . . . 0.0 109.121 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.59 134.48 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 CA-C-N 119.135 0.88 . . . . 0.0 111.604 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 -5.3 82.67 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.524 1.059 . . . . 0.0 114.254 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -89.85 179.58 5.95 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.134 1.467 . . . . 0.0 112.139 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -141.13 160.01 41.01 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -166.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.25 157.36 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 127.859 2.464 . . . . 0.0 108.256 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -132.31 148.77 52.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.766 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -133.41 133.39 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.343 1.057 . . . . 0.0 108.913 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.42 -138.42 43.61 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.45 9.95 9.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.979 0.912 . . . . 0.0 111.952 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -118.04 -17.25 9.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.344 1.058 . . . . 0.0 113.143 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.77 140.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.41 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -129.83 139.66 51.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.965 1.306 . . . . 0.0 109.249 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.99 137.11 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.49 1.116 . . . . 0.0 108.442 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -131.83 130.44 41.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.619 0.368 . . . . 0.0 110.24 -175.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -84.21 116.65 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 169.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.4 mt -92.59 -34.52 13.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -174.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.69 178.08 38.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 113.846 0.298 . . . . 0.0 113.846 168.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.08 149.13 14.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 C-N-CA 123.628 0.771 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -144.44 98.91 3.28 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.836 1.254 . . . . 0.0 108.696 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -131.22 22.18 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -169.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.1 0.62 57.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.886 0.874 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 153.83 20.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.048 0.939 . . . . 0.0 110.565 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.02 121.0 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.067 0.947 . . . . 0.0 108.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.618 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.5 ttm180 -78.43 114.76 17.62 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -122.02 127.79 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.642 1.177 . . . . 0.0 109.476 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.6 135.44 12.36 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 123.782 0.706 . . . . 0.0 111.778 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -119.09 117.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.13 0.972 . . . . 0.0 108.639 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -115.66 94.71 4.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.206 0.603 . . . . 0.0 110.073 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.79 78.61 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.364 1.066 . . . . 0.0 109.905 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -62.65 154.01 68.1 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.596 2.198 . . . . 0.0 111.286 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.73 -1.03 3.34 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.339 0.656 . . . . 0.0 112.499 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.9 -22.19 66.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.01 148.04 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.099 0.96 . . . . 0.0 110.74 175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.99 156.98 20.9 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.732 0.413 . . . . 0.0 111.231 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.26 133.75 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.127 0.571 . . . . 0.0 109.641 169.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -154.29 166.06 34.37 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 123.47 0.708 . . . . 0.0 111.487 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.586 HH21 HD22 ' D' ' 4' ' ' LEU . 9.8 ptp85 -82.46 160.99 22.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -32.95 71.46 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.32 -45.6 87.76 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.712 0.805 . . . . 0.0 111.662 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.04 -30.5 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.247 0.619 . . . . 0.0 110.589 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -51.64 -38.73 56.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.671 0.789 . . . . 0.0 111.975 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.98 -28.03 67.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.659 0.784 . . . . 0.0 112.59 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -73.05 -40.58 64.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.22 0.608 . . . . 0.0 111.687 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.454 ' HA ' HD11 ' C' ' 55' ' ' LEU . 3.7 mp -65.96 -21.9 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 121.858 -0.526 . . . . 0.0 110.005 175.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -93.4 2.09 56.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.302 1.041 . . . . 0.0 113.163 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 3.94 7.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.955 0.902 . . . . 0.0 113.029 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.75 -50.93 1.1 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.475 1.036 . . . . 0.0 112.0 172.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' C' ' 51' ' ' ILE . 36.3 mt 58.12 28.43 16.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.608 1.163 . . . . 0.0 113.088 169.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.1 p -82.0 -14.95 55.23 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.179 0.992 . . . . 0.0 112.356 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.95 137.48 30.29 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.251 1.02 . . . . 0.0 110.202 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.88 176.91 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.227 2.618 . . . . 0.0 113.447 170.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.831 0.853 . . . . 0.0 112.206 177.248 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.53 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.9 tpp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.19 109.92 19.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -93.07 128.14 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.214 1.006 . . . . 0.0 108.74 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' LEU . . . . . 0.586 HD22 HH21 ' C' ' 44' ' ' ARG . 17.3 mt -112.04 168.14 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.106 0.962 . . . . 0.0 110.047 169.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.17 109.68 12.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.3 130.81 57.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.997 -0.44 . . . . 0.0 111.178 -168.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -73.22 152.24 41.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.746 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.87 137.97 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.343 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.83 -3.28 87.12 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.388 0.994 . . . . 0.0 114.115 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -91.23 171.29 9.34 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.099 1.449 . . . . 0.0 112.009 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -129.58 156.72 43.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.482 0.713 . . . . 0.0 112.872 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.92 160.81 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 126.713 2.005 . . . . 0.0 108.85 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -139.57 149.42 43.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.058 0.943 . . . . 0.0 112.053 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.16 138.44 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.833 1.253 . . . . 0.0 109.053 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.41 -136.27 50.82 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -127.53 10.0 6.63 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 112.551 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -128.5 -12.82 4.93 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.49 137.89 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.055 0.843 . . . . 0.0 111.146 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 64.1 m -123.43 150.22 44.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.678 1.191 . . . . 0.0 109.722 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -133.67 147.24 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.904 1.681 . . . . 0.0 107.64 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -141.65 131.87 24.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.581 -0.699 . . . . 0.0 109.679 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -88.03 99.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.47 -30.91 63.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.875 0.47 . . . . 0.0 110.958 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.03 -172.28 39.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.26 158.51 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 121.217 0.532 . . . . 0.0 110.906 169.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 23.4 t -142.76 78.72 1.62 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.85 1.26 . . . . 0.0 108.273 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.43 -115.34 5.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.421 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mp0 -91.55 -14.67 29.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.167 0.987 . . . . 0.0 110.941 175.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -79.46 149.33 31.59 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.797 0.808 . . . . 0.0 110.869 170.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.97 127.17 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttm-85 -93.17 109.87 21.37 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.87 127.7 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.588 0.755 . . . . 0.0 109.922 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 135.8 12.43 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 123.968 0.794 . . . . 0.0 111.12 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.15 140.03 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.411 1.085 . . . . 0.0 108.792 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.11 89.91 2.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.42 0.688 . . . . 0.0 109.685 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.52 156.67 58.04 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 124.346 1.058 . . . . 0.0 109.874 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -61.34 150.64 84.0 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.156 1.904 . . . . 0.0 110.732 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.51 -1.31 6.37 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.05 -23.26 66.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.891 1.277 . . . . 0.0 111.529 168.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.03 159.23 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.12 157.1 16.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.309 0.643 . . . . 0.0 112.2 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.43 127.04 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.926 0.491 . . . . 0.0 110.054 168.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -150.22 166.65 29.26 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.759 0.824 . . . . 0.0 111.506 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -63.96 157.81 24.01 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 168.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.4 -34.32 77.47 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.446 -0.784 . . . . 0.0 111.682 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.83 -26.32 66.86 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 112.529 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.7 -43.96 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.797 0.839 . . . . 0.0 110.636 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.49 -38.81 14.58 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.84 1.256 . . . . 0.0 112.082 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.51 -21.05 62.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.341 1.057 . . . . 0.0 113.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -44.28 25.14 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.441 1.096 . . . . 0.0 110.223 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.628 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.5 mp -73.18 -18.92 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 125.278 1.431 . . . . 0.0 110.155 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -99.35 -11.71 20.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.54 -54.17 2.91 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 119.585 1.084 . . . . 0.0 112.783 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -132.96 -2.45 3.82 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.042 0.829 . . . . 0.0 112.852 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 63.53 55.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.181 1.392 . . . . 0.0 109.382 166.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 11.2 p -73.96 -13.92 60.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -165.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.22 82.19 63.65 Favored Pre-proline 0 N--CA 1.454 -0.26 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 167.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.2 -38.47 91.02 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.697 2.932 . . . . 0.0 113.074 -171.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.452 -0.331 0 C-N-CA 124.101 0.961 . . . . 0.0 111.027 -168.852 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.95 125.52 41.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.838 0.455 . . . . 0.0 110.75 -168.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.38 131.72 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.59 0.756 . . . . 0.0 109.056 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -126.71 164.96 20.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.495 1.518 . . . . 0.0 110.668 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.58 104.29 6.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 167.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.94 124.68 53.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.61 1.564 . . . . 0.0 109.838 -171.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -90.64 165.73 13.56 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.764 1.165 . . . . 0.0 112.535 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.72 135.69 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.768 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.49 82.11 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.14 0.876 . . . . 0.0 114.104 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -95.38 167.17 11.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.56 1.18 . . . . 0.0 111.423 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -131.51 166.12 22.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -168.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -150.45 155.69 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.772 2.429 . . . . 0.0 108.222 -167.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -136.41 150.88 48.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.9 mt -136.87 137.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.795 1.238 . . . . 0.0 108.903 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -141.19 46.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -117.15 2.89 12.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.932 0.893 . . . . 0.0 112.026 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.07 -7.09 2.69 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.31 135.93 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.994 0.815 . . . . 0.0 110.841 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -125.98 142.29 51.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 109.865 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.27 140.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.983 1.313 . . . . 0.0 108.413 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -138.11 130.57 29.22 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.117 0.567 . . . . 0.0 109.987 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -82.79 106.89 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.45 -31.08 53.58 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.895 -0.503 . . . . 0.0 111.008 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.31 -175.48 35.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 113.838 0.295 . . . . 0.0 113.838 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.83 158.58 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.85 0.86 . . . . 0.0 112.065 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -150.02 89.97 1.64 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.846 1.258 . . . . 0.0 108.939 169.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.45 -113.48 5.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -174.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.7 -20.59 21.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.557 0.678 . . . . 0.0 111.591 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -74.9 142.19 44.07 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.167 0.508 . . . . 0.0 110.084 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.28 117.98 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -87.86 125.32 34.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.68 132.32 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.732 0.813 . . . . 0.0 110.352 -168.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.33 141.43 15.25 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.347 0.975 . . . . 0.0 111.72 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -135.17 124.32 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.899 1.28 . . . . 0.0 108.929 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -125.29 99.73 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.75 155.34 78.14 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.489 1.116 . . . . 0.0 110.433 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.2 158.22 40.82 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.857 2.371 . . . . 0.0 112.183 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.59 -1.0 12.02 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.473 0.709 . . . . 0.0 112.702 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -23.16 66.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.814 1.246 . . . . 0.0 111.947 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.8 159.21 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.898 0.879 . . . . 0.0 110.925 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.03 16.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.035 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' VAL . . . . . 0.431 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.07 128.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.881 0.472 . . . . 0.0 110.335 169.369 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -152.31 171.23 18.32 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.386 1.074 . . . . 0.0 110.243 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -83.77 163.96 19.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 168.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.57 66.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.3 -46.01 83.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.769 0.827 . . . . 0.0 110.602 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -82.33 -39.04 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.562 0.745 . . . . 0.0 109.91 -174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -55.46 -37.04 67.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.105 0.962 . . . . 0.0 112.078 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -67.69 -24.34 65.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.104 0.562 . . . . 0.0 112.51 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -77.4 -25.3 50.71 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.399 0.679 . . . . 0.0 111.323 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 61.8 mt -93.66 -30.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.926 1.29 . . . . 0.0 110.262 -172.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -84.95 3.13 39.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.99 0.41 1.24 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.78 39.28 0.66 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-N 118.698 0.681 . . . . 0.0 113.36 171.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.97 -43.07 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -168.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 48.02 34.86 4.49 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.937 1.295 . . . . 0.0 112.763 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.38 133.52 6.53 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.436 1.094 . . . . 0.0 109.172 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -54.32 128.58 30.6 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.798 2.332 . . . . 0.0 113.253 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.456 -0.144 0 C-N-CA 126.871 2.068 . . . . 0.0 116.002 169.269 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 2' ' ' LEU . . . . . 0.431 HD12 HG13 ' E' ' 42' ' ' VAL . 6.7 mt -95.29 148.4 22.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.978 -0.451 . . . . 0.0 111.53 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.46 135.52 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.751 0.82 . . . . 0.0 108.834 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -128.95 161.36 30.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.697 1.199 . . . . 0.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.98 97.14 4.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 168.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -106.18 149.29 26.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.496 1.118 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -96.39 168.84 10.32 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.63 141.14 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 0.0 112.298 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.76 83.33 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.079 0.847 . . . . 0.0 113.788 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -91.74 174.6 7.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.74 1.27 . . . . 0.0 112.587 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -132.69 160.49 36.6 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.685 0.794 . . . . 0.0 112.807 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -141.12 157.01 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.253 1.821 . . . . 0.0 108.241 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -134.18 143.47 47.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.647 0.779 . . . . 0.0 111.538 -169.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.68 140.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.464 1.106 . . . . 0.0 109.318 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.25 -139.06 48.97 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.48 4.86 11.74 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 172.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -136.46 -13.88 1.74 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.17 135.52 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 119.063 0.847 . . . . 0.0 110.418 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -129.64 141.23 50.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.786 0.835 . . . . 0.0 110.386 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -117.33 142.0 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 C-N-CA 125.855 1.662 . . . . 0.0 108.141 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -134.21 128.18 33.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.311 0.644 . . . . 0.0 109.653 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -84.22 108.78 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.59 -24.51 36.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.483 0.713 . . . . 0.0 111.068 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.58 -170.88 32.38 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.101 0.381 . . . . 0.0 113.878 168.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.95 155.43 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.74 0.816 . . . . 0.0 111.973 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -142.16 89.94 2.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.792 1.237 . . . . 0.0 108.849 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.95 -106.78 1.76 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -93.1 -20.81 20.15 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 117.358 0.579 . . . . 0.0 111.808 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -73.04 139.33 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 122.894 0.478 . . . . 0.0 110.11 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.8 t -130.64 113.68 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -88.15 118.54 27.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.255 1.022 . . . . 0.0 109.234 -174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.86 133.47 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.652 0.781 . . . . 0.0 110.374 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.89 142.04 15.4 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.222 0.915 . . . . 0.0 111.283 171.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -130.09 131.08 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.437 1.095 . . . . 0.0 109.458 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -126.3 106.63 9.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.216 1.007 . . . . 0.0 109.234 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.22 158.28 76.0 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 111.336 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.58 161.81 33.81 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.968 2.445 . . . . 0.0 112.341 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.01 -11.66 59.33 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.635 0.774 . . . . 0.0 112.659 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.96 -20.51 66.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.083 1.353 . . . . 0.0 112.594 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -126.89 164.28 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.769 0.828 . . . . 0.0 111.299 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.64 162.84 13.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.135 0.574 . . . . 0.0 111.661 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.01 123.99 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.508 0.723 . . . . 0.0 109.885 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -153.41 173.58 15.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.181 0.992 . . . . 0.0 110.124 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -76.68 158.66 30.85 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 167.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.26 -21.22 66.71 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.71 -46.18 77.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.588 0.755 . . . . 0.0 111.587 171.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.1 -31.63 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.743 0.817 . . . . 0.0 110.203 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.75 -38.57 67.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.47 -25.93 66.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.196 0.598 . . . . 0.0 112.411 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -76.58 -23.0 53.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.432 0.693 . . . . 0.0 111.376 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 76.1 mt -97.64 -32.72 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 125.354 1.462 . . . . 0.0 110.52 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.6 3.0 23.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 173.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.89 1.34 2.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.49 38.89 0.82 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 118.836 0.744 . . . . 0.0 113.606 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.97 -36.04 0.08 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -168.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m 47.17 44.47 15.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.173 1.389 . . . . 0.0 112.837 -169.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.05 119.53 2.75 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 123.681 0.792 . . . . 0.0 110.278 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.71 145.1 91.44 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.977 2.452 . . . . 0.0 112.722 173.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 125.077 1.351 . . . . 0.0 112.921 172.191 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 O4'-C1'-N19 111.839 3.639 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 O4'-C1'-N19 111.411 3.211 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 1 O4'-C1'-N19 112.909 4.709 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 O4'-C1'-N19 112.436 4.236 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.43 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 C3'-C2'-C1' 104.607 3.452 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.43 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 C5'-C4'-C3' 107.619 -5.254 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 1 C5'-C4'-C3' 108.69 -4.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C3'-C2'-C1' 104.248 3.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 O4'-C1'-N19 110.58 2.38 . 0.044 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.61 3.455 . 0.252 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 111.08 2.88 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C3'-C2'-C1' 103.732 2.481 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 110.95 -3.033 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C4'-C3'-C2' 99.717 -2.983 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.7 3.5 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 O4'-C1'-N19 110.586 2.386 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 110.586 -3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 0 C5'-C4'-C3' 111.613 -2.591 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 112.819 4.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.248 4.048 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 2 O4'-C1'-N19 112.678 4.478 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C5'-C4'-C3' 111.565 -2.623 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 1 O4'-C1'-N19 112.786 4.586 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 112.114 3.914 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 N19-C1'-C2' 108.401 -3.124 . 0.446 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 O4'-C1'-N19 111.22 3.02 . 0.501 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.437 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.874 -2.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 112.091 -2.273 . 0.048 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C5'-C4'-C3' 111.282 -2.812 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . 0.442 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 C5'-C4'-C3' 109.361 -4.092 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 P-O3'-C3' 125.244 4.62 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.387 3.187 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.506 4.306 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 99.168 -3.532 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 99.496 -3.204 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 O4'-C1'-N19 112.314 4.114 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 113.744 5.544 . 0.361 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.46 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 111.486 -2.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.46 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.231 3.035 . 0.12 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 O4'-C1'-N19 113.311 5.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.478 0 C5'-C4'-C3' 109.516 -3.989 . 0.071 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.521 4.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C5'-C4'-C3' 112.123 -2.252 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.283 4.083 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.252 4.052 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.203 3.003 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 1 O4'-C1'-N19 112.751 4.551 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.375 1 C3'-C2'-C1' 105.56 4.511 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 112.366 -2.089 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.104 2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 C5'-C4'-C3' 111.621 -2.586 . 0.452 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.409 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.411 -3.468 1 O5'-C5'-C4' 116.843 4.745 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C5'-C4'-C3' 111.471 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.344 4.144 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-O4' 112.808 2.577 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.705 3.505 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 1 O4'-C1'-N19 113.139 4.939 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C5'-C4'-C3' 111.301 -2.8 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.716 3.516 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O4'-C1'-N19 111.428 3.228 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.39 3.19 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C3'-C2'-C1' 104.967 3.853 . 0.13 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 114.201 3.572 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.348 0 P-O3'-C3' 122.587 2.406 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.631 3.479 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 0 C5'-C4'-C3' 110.22 -3.52 . 0.153 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 2 C5'-C4'-C3' 105.351 -6.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 P-O3'-C3' 125.36 4.716 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 N19-C1'-C2' 109.073 -2.705 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.249 4.049 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 O4'-C1'-N19 111.257 3.057 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O4'-C1'-N19 111.732 3.532 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.06 109.54 22.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.702 0.801 . . . . 0.0 109.198 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.86 136.62 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.006 0.922 . . . . 0.0 109.152 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.97 154.85 50.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.207 1.003 . . . . 0.0 109.745 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -115.66 100.92 8.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.08 133.2 54.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.47 0.708 . . . . 0.0 110.452 -168.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.66 154.32 18.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.768 0.427 . . . . 0.0 109.863 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.97 124.36 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 122.88 0.472 . . . . 0.0 111.004 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.41 -5.87 60.91 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.849 1.214 . . . . 0.0 114.44 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -96.97 169.05 10.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.796 1.298 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -135.92 150.1 49.19 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -168.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 5.9 mm -106.68 158.41 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 125.876 1.67 . . . . 0.0 109.67 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -130.71 138.97 50.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.615 1.166 . . . . 0.0 110.13 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.7 mt -132.9 130.5 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.17 0.988 . . . . 0.0 109.55 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.53 -126.1 27.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.96 3.62 4.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.641 0.777 . . . . 0.0 112.358 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -136.77 -20.17 1.32 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -169.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.96 136.33 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.858 0.754 . . . . 0.0 110.221 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -130.8 141.66 50.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.765 0.826 . . . . 0.0 109.418 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.32 141.86 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.63 1.172 . . . . 0.0 108.147 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -135.84 132.95 37.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.635 0.652 . . . . 0.0 110.324 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -83.39 101.11 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 169.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.29 -28.8 61.35 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.026 -0.421 . . . . 0.0 110.115 -175.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -169.26 38.81 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 122.938 0.304 . . . . 0.0 113.399 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.28 153.25 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.696 0.798 . . . . 0.0 111.519 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -138.38 60.96 1.6 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.878 1.271 . . . . 0.0 109.681 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.74 -123.52 6.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -76.95 -18.45 58.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.418 0.609 . . . . 0.0 112.222 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.8 pt20 -98.77 149.74 22.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.36 1.076 . . . . 0.0 112.053 174.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.14 126.38 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.841 1.657 . . . . 0.0 108.961 -168.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -90.94 101.99 14.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.853 0.861 . . . . 0.0 109.667 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -110.08 133.77 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.472 1.109 . . . . 0.0 109.677 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.92 140.9 15.78 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.974 0.797 . . . . 0.0 111.682 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -114.41 136.18 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 125.48 1.512 . . . . 0.0 108.325 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.29 74.96 1.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.005 . . . . 0.0 109.233 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.04 154.4 39.57 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 125.247 1.419 . . . . 0.0 110.7 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.03 153.14 57.68 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.581 2.187 . . . . 0.0 110.35 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -68.95 -3.84 14.39 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -69.28 -25.48 64.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.939 0.896 . . . . 0.0 112.073 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -115.62 144.02 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.875 0.845 . . . . 0.0 111.693 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.52 143.0 28.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.133 0.973 . . . . 0.0 110.749 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 128.57 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.581 0.352 . . . . 0.0 110.387 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -152.41 172.91 15.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.212 1.005 . . . . 0.0 110.567 -170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 163.14 12.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.912 -0.493 . . . . 0.0 110.962 176.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -64.1 -37.32 87.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -75.35 -3.11 31.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -115.73 -31.29 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 111.057 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -66.03 -29.69 70.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.362 -0.836 . . . . 0.0 110.677 -170.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.84 0.856 . . . . 0.0 111.317 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -71.61 -34.23 69.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.132 0.973 . . . . 0.0 110.406 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.07 -52.66 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.319 1.047 . . . . 0.0 109.37 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -75.02 5.07 5.61 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.562 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.92 -20.82 66.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 168.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.43 19.92 1.64 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 123.896 0.76 . . . . 0.0 113.186 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.75 174.16 8.97 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.637 1.175 . . . . 0.0 111.372 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.3 p -141.04 158.57 43.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.846 0.858 . . . . 0.0 110.849 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.77 150.87 95.31 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 122.951 0.5 . . . . 0.0 111.434 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -74.53 162.4 38.1 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.067 2.511 . . . . 0.0 112.228 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 124.665 1.186 . . . . 0.0 112.334 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -116.6 121.18 40.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.835 1.654 . . . . 0.0 107.603 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.01 142.58 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -164.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -144.74 143.88 30.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.734 1.213 . . . . 0.0 111.307 -171.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 134.27 34.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 166.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 2.4 tpm_? -132.9 118.77 19.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.067 0.547 . . . . 0.0 110.163 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 38.6 ttpt -87.06 149.44 24.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -55.19 130.69 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.756 -168.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.19 56.27 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.135 0.874 . . . . 0.0 114.805 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.98 164.49 13.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.798 1.299 . . . . 0.0 111.659 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -130.41 159.95 35.49 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -141.22 155.42 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.546 1.938 . . . . 0.0 109.306 -172.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -134.77 140.95 46.3 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.737 0.815 . . . . 0.0 111.613 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.7 129.73 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 124.353 1.061 . . . . 0.0 109.327 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -135.56 51.78 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -122.85 3.37 9.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.692 0.797 . . . . 0.0 112.22 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -120.48 -17.73 8.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.629 0.771 . . . . 0.0 112.975 -172.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.65 136.53 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.782 0.719 . . . . 0.0 110.786 -171.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -132.85 149.33 52.27 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.737 1.215 . . . . 0.0 109.927 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -128.79 144.51 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 126.029 1.732 . . . . 0.0 108.174 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -138.02 132.87 32.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 122.809 0.444 . . . . 0.0 110.502 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.94 100.15 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.68 -32.67 68.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.582 -0.699 . . . . 0.0 111.101 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.53 178.84 36.72 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 122.702 0.192 . . . . 0.0 112.849 173.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.43 147.84 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -131.43 71.18 1.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 0.0 108.686 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 -112.54 3.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.58 13.19 25.45 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 111.711 170.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.01 156.25 17.02 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.319 1.047 . . . . 0.0 109.093 167.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.0 t -137.58 119.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.88 120.85 29.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.282 1.033 . . . . 0.0 109.789 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.71 133.72 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.324 1.05 . . . . 0.0 109.823 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 138.93 14.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -121.1 132.33 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.839 0.828 . . . . 0.0 109.541 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -133.0 75.91 1.65 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.666 -168.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.1 157.41 55.44 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.605 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -60.29 155.53 45.68 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 121.695 1.597 . . . . 0.0 109.786 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.902 0.881 . . . . 0.0 111.669 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.84 -23.96 66.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.997 1.719 . . . . 0.0 111.087 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.23 144.09 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.63 1.172 . . . . 0.0 109.828 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.54 142.03 29.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.461 0.648 . . . . 0.0 111.185 171.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 t -142.2 96.53 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.019 -166.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.08 159.38 43.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.781 0.433 . . . . 0.0 111.895 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.5 ptt-85 -66.4 159.98 25.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.037 0.535 . . . . 0.0 111.899 170.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.56 -39.54 76.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.171 0.588 . . . . 0.0 112.267 -173.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.97 -2.17 11.8 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -105.56 -51.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.143 0.977 . . . . 0.0 109.762 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -50.11 -37.52 34.43 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.968 1.307 . . . . 0.0 112.058 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.47 -21.81 62.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.7 -42.73 27.65 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.966 0.803 . . . . 0.0 110.138 169.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.3 mt -63.19 -38.5 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 123.315 0.646 . . . . 0.0 109.355 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -81.33 4.0 22.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.49 -18.72 44.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.282 0.633 . . . . 0.0 111.816 169.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.63 49.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.664 0 C-N-CA 123.411 0.529 . . . . 0.0 113.968 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.97 -177.2 2.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 117.535 0.668 . . . . 0.0 112.468 -168.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 37.9 p -127.55 -175.67 3.53 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.142 1.377 . . . . 0.0 109.644 168.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 123.88 2.8 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 124.023 0.929 . . . . 0.0 111.27 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.92 168.48 7.17 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.855 2.37 . . . . 0.0 114.294 -169.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.971 1.308 . . . . 0.0 113.096 -178.475 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpp . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 110.07 19.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 167.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.06 133.54 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.156 0.983 . . . . 0.0 109.663 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.63 134.98 46.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.316 1.046 . . . . 0.0 109.686 171.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.3 p -106.97 140.67 39.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.529 0.332 . . . . 0.0 111.076 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.608 ' HE ' ' CG2' ' C' ' 22' ' ' ILE 0.275 0.0 OUTLIER -146.17 161.3 40.51 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.737 165.511 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.9 tptm -74.84 156.25 36.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.986 1.714 . . . . 0.0 109.861 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -57.97 138.98 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 118.856 0.753 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -4.98 82.57 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.708 1.147 . . . . 0.0 114.507 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.02 177.62 6.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.97 1.385 . . . . 0.0 112.971 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -139.25 156.84 46.79 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.36 1.064 . . . . 0.0 113.096 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.461 HG13 ' HD3' ' C' ' 6' ' ' ARG . 9.7 mt -146.35 151.48 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 126.874 2.07 . . . . 0.0 108.708 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -117.2 148.13 41.88 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.185 0.994 . . . . 0.0 111.517 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -130.94 127.79 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.68 1.192 . . . . 0.0 108.658 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.8 -134.38 51.88 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.256 -1.137 . . . . 0.0 110.256 -169.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.58 7.2 6.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.714 0.806 . . . . 0.0 111.782 168.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -111.42 -19.95 12.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.336 1.054 . . . . 0.0 112.94 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.38 139.13 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.461 0.705 . . . . 0.0 110.814 -170.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -129.37 141.37 51.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.366 1.066 . . . . 0.0 109.741 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -119.67 139.57 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.271 1.428 . . . . 0.0 108.507 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -135.83 130.19 33.57 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.886 0.474 . . . . 0.0 110.156 -174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.608 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.4 tp -85.38 122.58 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.9 mt -97.15 -37.59 10.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -176.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.82 -173.24 43.39 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.48 -0.39 . . . . 0.0 113.877 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.31 152.24 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 C-N-CA 123.525 0.73 . . . . 0.0 110.896 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.21 93.08 2.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.008 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -126.05 10.82 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.1 -0.18 57.11 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.919 0.887 . . . . 0.0 112.139 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.84 153.23 22.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.51 0.724 . . . . 0.0 110.901 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.12 125.41 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 107.799 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 38.1 ttm-85 -88.7 117.32 27.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -120.28 130.84 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.189 1.396 . . . . 0.0 109.032 -175.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.97 139.63 14.56 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.956 0.789 . . . . 0.0 111.427 172.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -124.88 123.8 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.355 1.062 . . . . 0.0 108.497 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -121.78 92.39 3.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.374 0.669 . . . . 0.0 109.604 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.53 156.67 76.82 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.474 1.109 . . . . 0.0 109.684 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.44 150.82 83.39 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.361 2.04 . . . . 0.0 110.767 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -66.11 -0.95 2.74 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.515 0.726 . . . . 0.0 112.456 172.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.9 -23.99 66.75 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.505 1.122 . . . . 0.0 111.443 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -121.29 148.83 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.116 0.966 . . . . 0.0 110.546 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 156.95 20.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.514 0.325 . . . . 0.0 111.326 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.11 130.86 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 123.118 0.567 . . . . 0.0 109.532 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -155.91 165.38 36.66 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.308 0.643 . . . . 0.0 111.707 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -83.44 161.97 21.14 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.31 -37.03 79.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -168.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.77 -19.89 62.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mm -95.67 -35.59 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.545 0.738 . . . . 0.0 110.69 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -51.81 -36.8 49.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.287 1.035 . . . . 0.0 112.375 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.91 -28.53 66.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.817 0.847 . . . . 0.0 112.634 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -68.65 -39.08 80.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.346 0.658 . . . . 0.0 111.776 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.429 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -68.54 -20.91 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -94.73 2.11 55.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.511 1.124 . . . . 0.0 112.839 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.56 4.01 5.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.87 26.19 3.38 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.002 0.811 . . . . 0.0 112.971 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.1 -3.84 28.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.74 0.816 . . . . 0.0 112.868 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 27.3 p -66.99 -16.79 64.58 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.289 1.036 . . . . 0.0 112.591 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.28 138.2 31.24 Favored Pre-proline 0 N--CA 1.452 -0.354 0 C-N-CA 124.179 0.991 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -66.46 174.99 5.52 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.832 2.355 . . . . 0.0 113.054 172.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.49 177.24 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.458 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.2 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.76 117.03 33.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.01 0.924 . . . . 0.0 109.314 170.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.458 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.2 mp -101.21 137.87 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.82 142.56 30.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.025 1.33 . . . . 0.0 108.768 -169.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.61 121.08 44.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -131.16 127.92 39.0 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.486 -0.292 . . . . 0.0 110.924 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.29 154.31 41.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.358 0.526 . . . . 0.0 110.367 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' D' ' 25' ' ' VAL . 15.4 m -52.64 135.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.191 169.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.84 -2.55 82.27 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.476 1.036 . . . . 0.0 114.214 178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -95.79 171.04 8.9 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.005 1.403 . . . . 0.0 112.001 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -128.38 156.6 42.87 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -168.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -141.48 160.24 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 127.566 2.346 . . . . 0.0 108.8 -173.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -140.99 150.72 43.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.14 138.71 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.76 1.224 . . . . 0.0 109.126 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.03 -137.55 50.35 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.35 7.96 9.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.176 0.99 . . . . 0.0 111.761 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -133.88 -11.71 2.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.17 138.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 118.777 0.717 . . . . 0.0 110.802 -171.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -122.53 146.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.506 1.123 . . . . 0.0 109.689 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.98 143.78 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.77 1.628 . . . . 0.0 107.64 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -142.15 132.16 24.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.666 -0.646 . . . . 0.0 110.099 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -87.65 93.57 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.19 -31.99 70.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.088 0.555 . . . . 0.0 111.116 -169.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -172.11 42.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 121.424 0.458 . . . . 0.0 112.913 170.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -134.81 132.63 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.17 1.388 . . . . 0.0 109.804 -171.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -141.09 88.94 2.2 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.035 0.934 . . . . 0.0 109.568 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -121.9 10.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -97.09 -12.01 23.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.655 0.782 . . . . 0.0 110.889 174.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -74.37 145.13 44.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 169.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.64 132.45 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -100.63 111.24 23.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.073 1.349 . . . . 0.0 108.657 -169.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.478 HG13 HH12 ' C' ' 6' ' ' ARG . 2.1 mt -125.45 128.15 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.073 -168.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.34 138.61 14.19 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.71 139.74 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.264 1.026 . . . . 0.0 108.343 172.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.04 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.67 156.08 59.12 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.622 1.169 . . . . 0.0 109.639 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -61.04 150.14 85.64 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.002 1.801 . . . . 0.0 110.57 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.69 -1.17 6.33 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.01 -23.18 66.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.736 1.215 . . . . 0.0 111.401 168.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.11 160.01 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.187 0.995 . . . . 0.0 110.726 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 157.11 16.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.532 0.733 . . . . 0.0 112.183 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.45 122.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 O-C-N 121.874 -0.516 . . . . 0.0 110.311 168.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -148.73 157.05 43.17 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -64.0 160.26 18.29 Favored 'General case' 0 C--O 1.227 -0.102 0 O-C-N 121.788 -0.57 . . . . 0.0 110.731 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.26 -34.31 76.29 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.325 0.512 . . . . 0.0 111.819 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.32 -51.53 66.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 111.29 170.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -72.59 -40.48 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.256 1.022 . . . . 0.0 110.205 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.9 -39.04 62.42 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.479 1.512 . . . . 0.0 111.9 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.97 -22.93 63.15 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.36 1.064 . . . . 0.0 112.966 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.62 -41.49 45.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.623 0.769 . . . . 0.0 110.566 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.706 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.9 mp -73.19 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 C-N-CA 125.286 1.434 . . . . 0.0 109.934 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -92.14 0.04 57.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.06 -47.23 3.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.309 1.044 . . . . 0.0 112.507 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.43 6.29 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.878 173.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.54 171.22 0.29 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.822 1.649 . . . . 0.0 112.722 166.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.19 -12.05 0.26 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 166.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.604 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -128.32 -25.91 0.04 OUTLIER Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 58' ' ' PRO . . . . . 0.604 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 75.5 Cg_exo -60.03 117.96 4.78 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.157 2.571 . . . . 0.0 112.546 173.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 CA--C 1.529 0.149 0 C-N-CA 126.597 1.959 . . . . 0.0 115.077 174.897 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt -100.91 119.98 39.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.909 0.484 . . . . 0.0 111.526 -167.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.39 138.07 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.302 1.041 . . . . 0.0 109.728 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -134.22 165.04 26.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.849 1.66 . . . . 0.0 110.817 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.68 98.22 4.27 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 168.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.01 131.18 52.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.623 1.569 . . . . 0.0 111.757 -168.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -81.43 157.66 24.87 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.61 0.243 . . . . 0.0 111.624 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -60.72 136.41 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.042 0.448 . . . . 0.0 111.533 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.09 -3.27 84.4 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.13 0.872 . . . . 0.0 114.241 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -94.26 167.15 11.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.734 1.267 . . . . 0.0 111.5 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -129.64 159.51 36.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -137.9 157.77 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.798 2.039 . . . . 0.0 108.186 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -136.52 148.7 47.75 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.432 -0.793 . . . . 0.0 112.829 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -137.5 138.44 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.669 1.188 . . . . 0.0 109.151 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.82 -136.75 50.95 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.29 10.03 6.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.819 0.848 . . . . 0.0 112.489 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.86 -11.59 4.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.2 136.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 119.212 0.915 . . . . 0.0 111.197 -169.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -127.43 143.18 51.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -123.61 143.77 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.304 1.441 . . . . 0.0 108.026 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -138.94 128.47 24.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.785 0.434 . . . . 0.0 109.9 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.2 105.95 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 169.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.86 -33.44 60.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.763 -0.586 . . . . 0.0 110.441 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -178.23 37.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 113.872 0.309 . . . . 0.0 113.872 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.1 151.51 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.688 0.795 . . . . 0.0 111.789 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -141.77 89.85 2.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.913 1.285 . . . . 0.0 108.815 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -112.43 5.0 Favored Glycine 0 CA--C 1.526 0.754 0 O-C-N 121.763 -0.585 . . . . 0.0 111.921 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -89.88 -25.68 20.86 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.58 0.69 . . . . 0.0 111.666 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -72.9 147.29 45.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.234 0.614 . . . . 0.0 110.048 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.81 120.65 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -82.23 114.46 20.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.34 0.656 . . . . 0.0 109.471 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.74 124.51 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.706 0.802 . . . . 0.0 110.001 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.55 140.76 15.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.297 0.951 . . . . 0.0 111.418 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -133.89 127.95 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 109.064 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -131.17 98.98 4.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 156.22 75.94 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.767 1.227 . . . . 0.0 110.018 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.36 157.85 33.92 Favored 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 122.613 2.208 . . . . 0.0 111.849 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -67.73 -0.99 4.58 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.49 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.96 -24.92 67.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.077 1.351 . . . . 0.0 111.909 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.71 155.11 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.118 0.967 . . . . 0.0 110.84 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.34 155.1 20.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.408 170.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.27 125.83 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.795 0.438 . . . . 0.0 110.394 169.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -152.03 169.18 22.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.343 1.057 . . . . 0.0 110.039 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 30.8 ptt-85 -76.56 164.47 25.91 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.626 -0.671 . . . . 0.0 110.301 169.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.13 -27.57 68.49 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.88 0.472 . . . . 0.0 112.148 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.5 -43.04 93.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.342 1.057 . . . . 0.0 112.374 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -86.56 -33.34 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.849 0.86 . . . . 0.0 110.279 -171.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -53.78 -34.82 60.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.242 1.017 . . . . 0.0 112.483 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -65.76 -24.69 67.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.547 0.739 . . . . 0.0 112.606 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -74.44 -22.99 58.86 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.457 0.703 . . . . 0.0 110.948 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 80.8 mt -98.16 -33.31 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.358 1.463 . . . . 0.0 110.013 -172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -81.08 3.08 24.56 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.528 0.731 . . . . 0.0 112.964 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -5.44 8.55 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.16 1.171 . . . . 0.0 114.16 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.4 39.53 0.47 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 118.684 0.674 . . . . 0.0 113.593 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.97 -39.67 0.08 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -169.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m 45.07 44.52 8.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.23 1.412 . . . . 0.0 112.851 -169.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.5 3.25 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.846 174.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.45 171.78 4.02 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.583 2.189 . . . . 0.0 113.298 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.454 -0.232 0 C-N-CA 124.886 1.274 . . . . 0.0 113.13 -177.785 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.099 0.037 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.91 150.79 20.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.678 0.391 . . . . 0.0 111.35 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.26 121.57 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 4' ' ' LEU . . . . . 0.401 HD13 ' C2 ' ' G' ' 38' ' ' ' A' . 4.0 mm? -110.51 153.14 25.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.884 1.674 . . . . 0.0 108.98 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 104.67 10.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 168.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.69 127.54 55.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.95 1.3 . . . . 0.0 110.19 -169.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.8 164.99 13.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 119.46 1.027 . . . . 0.0 112.705 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -59.25 136.33 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.091 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.57 -4.78 76.67 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.25 0.929 . . . . 0.0 114.173 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -97.55 169.51 9.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.72 1.26 . . . . 0.0 111.745 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -133.77 158.13 44.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -169.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 50.4 mt -136.93 150.37 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 126.065 1.746 . . . . 0.0 108.819 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -122.52 148.83 44.71 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.548 0.739 . . . . 0.0 111.808 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -135.64 137.52 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.736 1.214 . . . . 0.0 109.233 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.94 -136.24 50.11 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -120.26 3.09 10.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.758 0.823 . . . . 0.0 112.335 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.91 -13.83 1.42 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.52 134.63 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 119.122 0.873 . . . . 0.0 110.462 -174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -128.65 142.07 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.916 0.886 . . . . 0.0 110.373 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -121.18 143.15 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.954 1.702 . . . . 0.0 108.091 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 44.0 m -137.11 130.38 31.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.094 0.558 . . . . 0.0 109.907 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.37 109.29 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.53 -27.77 34.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.142 0.577 . . . . 0.0 111.116 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.67 -175.37 35.0 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 123.3 0.476 . . . . 0.0 113.157 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.08 153.68 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.363 0.665 . . . . 0.0 111.415 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -146.38 89.84 1.89 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.368 1.067 . . . . 0.0 108.721 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.61 -121.98 28.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -171.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.86 -22.01 40.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.3 145.21 39.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.442 0.639 . . . . 0.0 110.494 175.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.23 118.94 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -85.94 127.17 34.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.37 140.64 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.902 0.881 . . . . 0.0 109.925 -169.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 142.1 17.23 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.244 0.926 . . . . 0.0 111.328 174.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.49 135.66 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 124.279 1.032 . . . . 0.0 109.554 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -129.02 109.52 11.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 109.208 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.5 157.67 76.84 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.74 0.816 . . . . 0.0 111.285 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.15 160.44 41.95 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.957 2.438 . . . . 0.0 112.318 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -64.14 -12.3 38.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.72 -15.41 61.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.798 1.239 . . . . 0.0 112.587 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.56 163.99 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.888 0.875 . . . . 0.0 111.029 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 161.49 13.77 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.244 0.618 . . . . 0.0 111.462 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -154.96 125.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.485 0.714 . . . . 0.0 110.17 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -152.92 173.71 15.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.194 0.998 . . . . 0.0 109.919 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.88 163.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.725 -0.609 . . . . 0.0 109.925 168.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.87 -29.78 69.74 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.776 0.43 . . . . 0.0 112.113 -171.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.39 -44.54 76.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.089 0.955 . . . . 0.0 111.67 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -89.65 -30.75 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.551 0.741 . . . . 0.0 110.378 -170.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -50.0 -35.44 24.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.184 0.994 . . . . 0.0 112.644 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -59.65 -21.97 61.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.087 0.955 . . . . 0.0 112.728 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -73.54 -46.74 45.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 109.644 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.499 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.9 mp -64.88 -22.9 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.356 1.462 . . . . 0.0 110.474 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -85.3 -41.5 15.47 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 169.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.34 -31.47 9.04 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -166.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.51 -23.63 1.34 Allowed Glycine 0 CA--C 1.525 0.717 0 CA-C-N 118.869 0.759 . . . . 0.0 112.965 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.95 170.36 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.212 2.605 . . . . 0.0 113.402 169.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -98.59 -4.12 34.73 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.785 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.21 134.82 24.59 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.2 1.0 . . . . 0.0 109.931 171.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.94 178.09 1.6 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.107 2.538 . . . . 0.0 113.525 172.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.217 0 C-N-CA 124.286 1.034 . . . . 0.0 112.664 178.428 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.95 3.75 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.647 -3.053 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.527 4.327 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.669 4.469 . 0.159 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.607 3.407 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C4'-C3'-C2' 99.178 -3.522 . 0.072 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.706 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.192 1 O4'-C1'-N19 112.368 4.168 . 0.367 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 111.142 -2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 O5'-C5'-C4' 113.174 2.124 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-C3' 110.027 -3.649 . 0.3 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.104 2.904 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.898 -2.401 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 C5'-C4'-C3' 108.665 -4.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C4'-C3'-C2' 100.392 -2.308 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.757 3.557 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 N19-C1'-C2' 109.385 -2.51 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O4'-C1'-N19 112.304 4.104 . 0.081 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 113.449 5.249 . 0.227 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 2 C4'-C3'-C2' 98.221 -4.479 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.927 3.727 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 2 O4'-C1'-N19 112.618 4.418 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 C4'-C3'-C2' 100.19 -2.51 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.482 4.282 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 112.157 3.957 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 N19-C1'-C2' 108.897 -2.815 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 111.459 3.259 . 0.58 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 C5'-C4'-C3' 111.752 -2.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 111.912 -2.392 . 0.086 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C5'-C4'-C3' 111.932 -2.379 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 111.852 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C4'-C3'-C2' 100.469 -2.231 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.264 3.064 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.528 4.328 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 99.227 -3.473 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 99.248 -3.452 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 112.027 3.827 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 C5'-C4'-C3' 109.32 -4.12 . 0.779 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.401 ' C2 ' HD13 ' F' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 111.384 -2.744 . 0.242 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C5'-C4'-C3' 112.978 -1.681 . 0.394 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 O4'-C1'-N19 112.948 4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 1 C5'-C4'-C3' 108.654 -4.564 . 0.046 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 2 C3'-C2'-C1' 105.49 4.434 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C5'-C4'-C3' 109.965 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 O4'-C1'-N19 112.971 4.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.361 4.161 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.127 2.927 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 111.618 3.418 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 1 C3'-C2'-C1' 105.707 4.674 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C4'-C3'-C2' 99.76 -2.94 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C5'-C4'-C3' 111.39 -2.74 . 0.397 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.438 1 O5'-C5'-C4' 116.975 4.839 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C5'-C4'-C3' 112.274 -2.151 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.447 4.247 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 112.793 2.566 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 112.04 -2.307 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 110.858 -3.094 . 0.014 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 O4'-C1'-N19 113.288 5.088 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 112.073 3.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.639 3.439 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.526 3.326 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.964 3.848 . 0.092 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C5'-C4'-O4' 114.667 3.905 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 P-O3'-C3' 122.946 2.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 P-O3'-C3' 122.485 2.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 111.009 -2.994 . 0.166 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 C5'-C4'-C3' 105.44 -6.707 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 1 P-O3'-C3' 125.506 4.838 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 N19-C1'-C2' 108.82 -2.862 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 112.496 4.296 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.373 3.173 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.38 4.18 . 0.042 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 111.36 23.52 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.518 0.727 . . . . 0.0 109.437 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.59 133.3 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.507 0.723 . . . . 0.0 109.778 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -132.59 162.27 31.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.456 1.102 . . . . 0.0 109.761 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 129.06 47.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -175.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -126.64 165.63 18.84 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.763 0.825 . . . . 0.0 109.931 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -129.09 158.41 39.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.3 t -51.16 120.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.545 0.212 . . . . 0.0 110.826 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.93 -5.47 56.43 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.466 1.031 . . . . 0.0 114.53 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -93.18 170.21 9.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.84 1.32 . . . . 0.0 112.151 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -141.02 157.16 45.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 18.0 mm -119.19 155.46 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.248 1.819 . . . . 0.0 109.437 169.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -126.71 139.81 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.4 1.08 . . . . 0.0 110.617 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.49 132.72 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.162 0.985 . . . . 0.0 109.707 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.17 27.52 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.46 -3.91 6.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.941 0.896 . . . . 0.0 112.426 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -134.26 -18.7 1.99 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.3 mt -104.26 138.57 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.692 0.678 . . . . 0.0 110.501 -169.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -137.0 147.33 46.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.861 0.864 . . . . 0.0 109.499 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.88 144.08 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.633 1.173 . . . . 0.0 108.413 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -139.7 137.13 34.92 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.47 0.577 . . . . 0.0 110.551 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.97 103.5 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.81 -28.03 50.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.143 -0.348 . . . . 0.0 110.544 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.12 -178.83 42.72 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 117.921 0.328 . . . . 0.0 113.897 169.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 152.16 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.367 1.067 . . . . 0.0 110.985 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -142.62 60.99 1.43 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.576 1.15 . . . . 0.0 110.192 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -121.67 5.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.15 -17.0 53.68 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.201 0.6 . . . . 0.0 111.673 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.99 154.14 18.31 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 171.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -133.5 140.96 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.397 1.879 . . . . 0.0 108.895 -169.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -107.92 104.58 14.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.933 0.893 . . . . 0.0 110.22 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.4 mt -113.06 133.54 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.907 1.283 . . . . 0.0 109.909 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.99 141.85 16.01 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 123.899 0.761 . . . . 0.0 112.018 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.05 138.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.464 1.506 . . . . 0.0 108.432 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -127.01 75.05 1.55 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.408 1.083 . . . . 0.0 109.186 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.87 153.84 42.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.123 1.369 . . . . 0.0 110.667 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.39 155.96 55.05 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.455 2.103 . . . . 0.0 110.6 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.14 -1.31 7.45 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.9 -31.05 71.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.937 0.895 . . . . 0.0 111.245 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.4 144.01 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.844 0.83 . . . . 0.0 111.4 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.53 143.06 27.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.727 0.811 . . . . 0.0 110.704 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.71 130.71 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.582 0.353 . . . . 0.0 110.085 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.9 163.91 35.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.853 0.861 . . . . 0.0 110.87 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 162.95 21.86 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.537 171.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.47 -36.72 84.71 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 119.292 0.951 . . . . 0.0 111.817 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -64.97 -10.14 27.01 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.724 1.21 . . . . 0.0 113.804 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 7.0 mt -122.5 -9.01 8.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 124.704 1.202 . . . . 0.0 111.149 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.09 -40.2 28.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.328 -1.483 . . . . 0.0 110.664 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.9 -21.97 60.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.932 0.493 . . . . 0.0 111.832 -175.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.5 ptp180 -78.13 -34.71 49.75 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.646 0.779 . . . . 0.0 111.97 172.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.47 -50.59 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 123.31 0.644 . . . . 0.0 109.473 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -84.08 5.06 27.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.21 66.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.986 0.357 . . . . 0.0 111.439 170.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.72 -15.8 2.0 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.268 0.937 . . . . 0.0 112.302 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -82.39 90.5 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 123.055 1.407 . . . . 0.0 110.655 -172.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -177.45 -41.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 113.838 -1.528 . . . . 0.0 107.379 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.86 163.76 64.82 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 126.709 2.003 . . . . 0.0 112.031 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.36 -38.3 20.75 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.285 2.657 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.437 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.463 -0.303 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.92 120.11 40.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 168.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.42 HD11 " H5'" ' G' ' 52' ' ' ' A' . 61.5 mt -116.04 140.42 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.797 -166.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -135.69 144.49 45.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.561 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -102.25 130.77 49.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -139.08 124.7 19.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.025 0.53 . . . . 0.0 110.985 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -80.68 151.08 29.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.298 172.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 21.1 m -55.53 129.28 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.164 0.507 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.31 60.12 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 124.0 0.809 . . . . 0.0 114.885 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -91.75 160.77 15.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.894 1.347 . . . . 0.0 111.218 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.75 161.11 29.74 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -169.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -143.88 158.64 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.65 1.98 . . . . 0.0 108.972 -171.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -141.02 144.46 35.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.755 0.822 . . . . 0.0 111.927 -170.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -134.78 129.03 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.487 1.115 . . . . 0.0 109.66 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -135.74 51.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -125.28 5.06 7.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.878 0.871 . . . . 0.0 112.753 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -115.14 -22.66 9.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.74 136.54 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 119.009 0.822 . . . . 0.0 111.393 -169.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -132.18 149.19 52.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.874 1.27 . . . . 0.0 109.889 171.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -130.5 145.27 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 126.129 1.771 . . . . 0.0 108.325 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -138.57 134.44 33.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.837 0.455 . . . . 0.0 110.468 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.79 97.53 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.4 HD22 ' C2 ' ' G' ' 30' ' ' ' C' . 19.6 mt -67.83 -34.26 76.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.55 -0.719 . . . . 0.0 111.253 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 165.98 -176.55 41.34 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 122.156 -0.068 . . . . 0.0 113.22 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.89 153.6 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.004 0.522 . . . . 0.0 110.615 173.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -135.9 76.44 1.61 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 108.945 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -117.77 4.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -99.48 9.48 43.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.015 0.526 . . . . 0.0 110.832 173.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.0 158.7 15.47 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.247 1.019 . . . . 0.0 110.523 169.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.26 119.85 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.988 1.315 . . . . 0.0 109.062 -168.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.48 124.0 38.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.699 1.2 . . . . 0.0 109.52 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.6 132.9 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.794 0.838 . . . . 0.0 110.421 -169.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.38 139.94 14.74 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.3 mt -123.5 132.46 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.932 0.893 . . . . 0.0 109.51 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -133.0 75.03 1.6 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.358 -168.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.01 157.44 50.56 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -59.82 158.4 29.06 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.086 1.857 . . . . 0.0 111.36 169.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -72.1 -0.85 12.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.496 0.718 . . . . 0.0 112.61 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.99 -23.25 66.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.96 1.304 . . . . 0.0 112.035 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.6 144.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.225 1.01 . . . . 0.0 110.458 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.81 142.3 29.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.772 0.796 . . . . 0.0 111.686 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.28 96.55 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.257 -166.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.04 159.31 42.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.26 0.552 . . . . 0.0 111.686 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.6 ptt-85 -68.98 158.08 35.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.948 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -55.3 -41.78 72.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.46 0.704 . . . . 0.0 112.377 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.28 -17.33 62.39 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -94.13 -50.37 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.238 1.015 . . . . 0.0 110.511 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -50.52 -36.9 36.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.917 1.287 . . . . 0.0 112.049 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -69.83 -21.99 63.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -79.51 -41.46 27.33 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.288 0.949 . . . . 0.0 110.01 169.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.405 ' HA ' HD12 ' B' ' 55' ' ' LEU . 94.3 mt -62.5 -39.72 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -81.49 5.13 18.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.28 -17.31 46.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.489 0.716 . . . . 0.0 111.869 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.54 45.76 0.1 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-O 119.644 -0.531 . . . . 0.0 114.011 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.07 -177.41 2.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.851 0.826 . . . . 0.0 112.679 -168.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -131.53 -167.35 1.85 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.176 1.391 . . . . 0.0 108.779 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.36 134.76 24.44 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 118.308 0.504 . . . . 0.0 111.162 -170.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -45.73 162.87 0.1 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 1 C-N-CA 125.55 4.167 . . . . 0.0 115.921 -178.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 125.423 1.489 . . . . 0.0 113.501 170.149 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.63 105.43 13.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 166.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.51 134.09 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.602 0.761 . . . . 0.0 109.631 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.8 mt -129.83 134.94 47.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.144 0.978 . . . . 0.0 109.347 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -90.94 148.81 22.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.452 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.2 ttp180 -146.05 141.51 27.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.012 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -94.29 147.61 23.03 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.25 134.4 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-N 119.207 0.912 . . . . 0.0 111.896 -172.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -8.6 73.8 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.958 1.266 . . . . 0.0 114.763 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -89.16 -176.91 5.28 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.491 1.646 . . . . 0.0 112.441 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -143.36 160.72 40.02 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.452 HG13 ' HD3' ' C' ' 6' ' ' ARG . 66.4 mt -137.57 157.77 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.452 2.301 . . . . 0.0 108.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -125.44 147.13 49.32 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.573 1.149 . . . . 0.0 111.428 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.14 136.64 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.648 1.179 . . . . 0.0 108.902 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.13 -138.77 44.86 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.589 -0.605 . . . . 0.0 111.589 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.54 7.41 11.8 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.109 0.963 . . . . 0.0 111.408 169.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -128.57 -13.04 4.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.013 0.925 . . . . 0.0 113.313 -169.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.21 141.23 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.646 0.657 . . . . 0.0 110.836 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -131.59 142.54 49.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.871 1.269 . . . . 0.0 109.079 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -124.75 144.1 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.547 1.139 . . . . 0.0 108.198 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -135.28 141.97 45.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.341 0.657 . . . . 0.0 110.405 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.45 120.39 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.542 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.8 mt -93.4 -40.24 10.48 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -176.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -177.41 43.54 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.894 168.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.97 149.04 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.653 0.781 . . . . 0.0 110.455 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 m -143.76 101.86 3.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.628 1.171 . . . . 0.0 108.727 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.55 24.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -169.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.56 0.18 56.51 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.912 0.885 . . . . 0.0 112.004 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -87.45 152.89 21.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 110.734 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.76 125.35 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 124.356 1.062 . . . . 0.0 108.653 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -84.64 113.52 21.33 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -119.13 134.06 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.969 1.308 . . . . 0.0 109.222 -174.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.29 141.78 15.4 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.052 0.834 . . . . 0.0 112.134 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -129.73 124.28 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 108.86 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -124.67 95.09 4.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.241 0.616 . . . . 0.0 110.174 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.77 157.24 78.38 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.29 1.036 . . . . 0.0 110.046 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -63.21 153.35 74.71 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.54 2.16 . . . . 0.0 111.162 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.73 -0.91 2.38 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.377 0.671 . . . . 0.0 112.641 171.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.86 -22.14 66.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.369 1.068 . . . . 0.0 111.249 169.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -125.27 147.36 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.195 0.998 . . . . 0.0 110.464 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.04 156.36 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.573 0.349 . . . . 0.0 111.144 174.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.25 132.79 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 169.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -153.68 164.62 37.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.151 0.581 . . . . 0.0 111.728 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 60.3 mtm-85 -78.98 155.73 28.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 166.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.54 -34.9 71.51 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.825 0.739 . . . . 0.0 111.539 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.98 -26.29 66.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.31 1.044 . . . . 0.0 113.491 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.9 mm -91.91 -37.1 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.929 0.892 . . . . 0.0 110.396 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.09 -35.09 59.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.972 1.309 . . . . 0.0 112.47 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.54 -29.2 67.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.13 -38.22 81.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.74 0.816 . . . . 0.0 111.829 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -69.59 -19.02 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -95.72 1.8 53.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.855 0.862 . . . . 0.0 112.634 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.21 -2.74 58.85 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.861 0.864 . . . . 0.0 113.149 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.48 6.9 60.83 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-O 119.579 -0.567 . . . . 0.0 112.855 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 57.23 -154.51 0.34 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.751 1.22 . . . . 0.0 111.089 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 34.7 p -82.03 -5.41 58.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.845 0.858 . . . . 0.0 112.47 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.4 73.77 76.62 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 112.049 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -62.02 -46.89 11.76 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.925 2.417 . . . . 0.0 112.363 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.024 0.93 . . . . 0.0 111.634 -168.921 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.471 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.44 113.38 25.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.019 1.728 . . . . 0.0 109.042 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -104.58 138.92 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.244 1.418 . . . . 0.0 109.215 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -131.85 166.66 21.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.951 1.3 . . . . 0.0 111.37 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.76 109.95 15.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 0.0 108.803 168.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -113.94 131.46 56.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.197 0.999 . . . . 0.0 109.701 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -77.73 157.57 30.02 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.969 0.804 . . . . 0.0 110.043 168.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -57.47 136.16 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.581 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.31 85.04 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.29 0.948 . . . . 0.0 114.127 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -96.51 176.32 6.07 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.989 1.395 . . . . 0.0 111.891 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -133.84 160.01 38.93 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -168.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -143.18 160.96 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 127.848 2.459 . . . . 0.0 108.565 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -139.76 153.02 47.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.076 0.95 . . . . 0.0 112.463 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.4 140.19 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.903 1.281 . . . . 0.0 109.127 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -136.84 50.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -124.51 9.97 8.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.115 0.966 . . . . 0.0 111.638 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.35 -10.83 2.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.76 137.93 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.78 0.718 . . . . 0.0 110.587 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -123.71 148.45 46.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.508 1.123 . . . . 0.0 109.787 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.52 141.35 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 125.402 1.481 . . . . 0.0 107.906 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -135.84 135.32 39.71 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.085 0.554 . . . . 0.0 109.664 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.24 102.34 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.12 -29.32 54.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.444 0.698 . . . . 0.0 110.899 -169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -170.54 38.78 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 122.842 0.258 . . . . 0.0 112.669 170.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.48 159.06 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.343 0.657 . . . . 0.0 110.886 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -143.54 73.37 1.39 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.015 0.926 . . . . 0.0 108.979 173.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.12 -113.43 3.66 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.83 -7.85 51.18 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.862 0.865 . . . . 0.0 110.199 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.69 157.51 25.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.129 0.966 . . . . 0.0 112.672 170.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 t -130.86 124.14 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 126.529 1.932 . . . . 0.0 106.841 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -92.63 115.58 28.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.61 127.77 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.177 0.591 . . . . 0.0 110.392 -168.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 135.05 12.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.38 138.44 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -138.08 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.057 0.543 . . . . 0.0 109.973 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.71 157.88 53.3 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.326 1.05 . . . . 0.0 110.007 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.7 151.62 84.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.185 1.923 . . . . 0.0 110.671 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.82 -1.62 7.6 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 175.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.09 -22.69 66.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.848 1.259 . . . . 0.0 111.621 168.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.51 160.02 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.191 0.996 . . . . 0.0 110.965 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.66 157.01 16.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.374 0.669 . . . . 0.0 112.616 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.28 121.98 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 122.949 0.5 . . . . 0.0 110.364 167.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -150.1 160.02 43.97 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.787 0.835 . . . . 0.0 111.501 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -63.82 159.45 19.49 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.656 169.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.56 -31.18 71.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.327 0.651 . . . . 0.0 111.64 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.35 -43.07 88.18 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 124.134 0.973 . . . . 0.0 111.945 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -86.25 -36.75 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.697 1.199 . . . . 0.0 110.422 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -52.3 -42.91 64.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.966 0.906 . . . . 0.0 110.885 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.23 -25.71 67.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 4.0 mtt85 -73.58 -42.33 61.73 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 118.964 0.802 . . . . 0.0 110.433 171.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 80.1 mt -69.47 -32.87 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.442 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.35 2.03 38.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.981 0.912 . . . . 0.0 110.784 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -82.27 -6.32 59.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.532 1.133 . . . . 0.0 112.625 171.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 46.18 0.55 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.671 0.653 . . . . 0.0 113.481 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.0 pp -158.13 173.47 16.67 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.137 0.975 . . . . 0.0 111.191 -171.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 41.1 m -100.79 -50.16 3.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.657 0.383 . . . . 0.0 111.647 169.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.726 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -160.92 -17.14 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.272 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 171.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 58' ' ' PRO . . . . . 0.726 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 45.1 Cg_exo -69.86 -169.21 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 CA-C-N 121.318 1.506 . . . . 0.0 113.263 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.428 1.091 . . . . 0.0 112.736 -178.186 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ttt . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt -131.96 125.84 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.602 1.161 . . . . 0.0 109.44 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mm -108.11 140.99 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.345 1.058 . . . . 0.0 110.019 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 44.7 mt -138.63 162.55 34.32 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.071 1.349 . . . . 0.0 111.302 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.98 106.2 6.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 166.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -118.79 141.71 48.38 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.918 1.287 . . . . 0.0 110.221 -173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -100.43 168.82 9.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -59.02 136.11 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.396 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.88 -6.88 81.82 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.213 0.911 . . . . 0.0 114.302 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -91.08 168.1 11.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.743 1.272 . . . . 0.0 111.477 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -135.12 159.94 39.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -143.02 157.56 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.52 1.928 . . . . 0.0 107.913 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.84 149.23 47.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.94 141.39 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.847 1.259 . . . . 0.0 108.899 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -133.89 52.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -173.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -126.49 4.87 6.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.906 0.882 . . . . 0.0 111.501 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -133.82 -4.41 2.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.917 0.887 . . . . 0.0 113.381 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.34 136.42 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.764 0.711 . . . . 0.0 110.739 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -128.78 141.79 51.2 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.463 1.105 . . . . 0.0 109.9 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -121.81 140.08 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 125.298 1.439 . . . . 0.0 108.183 176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -137.06 126.2 24.56 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.021 0.529 . . . . 0.0 110.021 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.28 112.26 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 169.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.48 -33.54 48.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.491 0.317 . . . . 0.0 110.543 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 -175.39 36.51 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.101 0.382 . . . . 0.0 113.568 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.64 155.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 C-N-CA 123.488 0.715 . . . . 0.0 112.39 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -145.64 89.97 1.96 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.436 1.494 . . . . 0.0 109.212 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.41 -114.58 4.74 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.656 -0.653 . . . . 0.0 111.927 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -87.98 -18.61 28.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.718 0.759 . . . . 0.0 111.18 171.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.93 150.93 30.37 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.03 0.919 . . . . 0.0 111.041 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -144.46 110.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -86.39 124.61 32.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.42 133.06 57.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.048 0.539 . . . . 0.0 110.851 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.96 143.93 16.97 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.381 0.991 . . . . 0.0 111.918 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.95 124.81 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.257 1.423 . . . . 0.0 108.846 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -125.5 100.22 6.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.163 0.585 . . . . 0.0 109.742 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.25 155.66 72.27 Favored Pre-proline 0 N--CA 1.452 -0.36 0 C-N-CA 124.428 1.091 . . . . 0.0 110.495 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.64 158.88 34.88 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.708 2.272 . . . . 0.0 111.902 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -69.05 -0.77 6.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.41 0.684 . . . . 0.0 112.591 169.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -22.88 67.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.957 1.303 . . . . 0.0 111.562 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.86 156.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.178 0.991 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.0 157.3 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.764 0.426 . . . . 0.0 111.729 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.95 125.0 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.249 169.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -150.56 167.0 28.53 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.128 0.971 . . . . 0.0 110.865 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' F' ' 12' ' ' ILE . 49.8 ttt180 -66.51 154.52 40.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -58.24 -24.63 59.94 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.84 0.456 . . . . 0.0 111.708 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.99 -48.51 73.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.611 1.164 . . . . 0.0 111.795 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.49 -32.06 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.158 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -55.58 -34.79 65.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.452 0.701 . . . . 0.0 112.179 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.45 -23.51 61.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.12 -23.06 62.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.071 0.549 . . . . 0.0 110.581 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.99 -46.47 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 C-N-CA 124.032 0.933 . . . . 0.0 109.458 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -71.8 3.0 4.56 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -25.16 66.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.609 0.764 . . . . 0.0 112.439 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.54 30.25 0.03 OUTLIER Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.429 -0.65 . . . . 0.0 114.363 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.09 -179.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.175 0.987 . . . . 0.0 111.604 -169.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.3 m -125.64 -22.71 4.19 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.206 0.602 . . . . 0.0 111.647 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.61 132.0 24.24 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.12 0.968 . . . . 0.0 110.257 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -63.62 177.62 1.65 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.203 2.602 . . . . 0.0 114.165 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.453 -0.309 0 C-N-CA 124.617 1.167 . . . . 0.0 112.378 -178.645 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.16 148.08 23.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 122.056 -0.402 . . . . 0.0 111.564 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.47 134.58 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.27 162.66 25.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 109.77 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.57 97.03 4.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.529 0.681 . . . . 0.0 109.559 169.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.544 ' HD3' HD11 ' F' ' 12' ' ' ILE . 2.9 ttp180 -104.91 162.11 13.62 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.097 1.359 . . . . 0.0 110.396 -175.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -117.05 172.15 7.46 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -56.37 136.23 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.506 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.06 -4.52 81.35 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.328 0.966 . . . . 0.0 114.777 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 10' ' ' GLU . . . . . 0.406 ' HB2' ' HE ' ' F' ' 6' ' ' ARG . 76.9 mm-40 -90.04 170.15 10.58 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.906 1.353 . . . . 0.0 112.297 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -137.79 153.92 49.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' F' ' 6' ' ' ARG . 50.4 mm -127.06 154.78 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 126.613 1.965 . . . . 0.0 108.431 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -121.68 148.13 44.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.618 0.767 . . . . 0.0 111.673 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -133.67 144.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.676 1.19 . . . . 0.0 108.943 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.29 -132.17 51.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.43 7.82 7.05 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.626 0.77 . . . . 0.0 111.785 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -139.34 -14.01 1.14 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -101.74 138.12 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.966 0.803 . . . . 0.0 110.291 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -127.21 142.52 51.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.131 0.973 . . . . 0.0 110.321 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -122.47 139.69 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 125.249 1.42 . . . . 0.0 108.321 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.2 m -135.84 137.57 41.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.697 0.799 . . . . 0.0 110.3 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 22' ' ' ILE . . . . . 0.416 HG22 HH21 ' F' ' 6' ' ' ARG . 2.6 tp -94.58 109.22 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.74 -32.57 52.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.116 -0.365 . . . . 0.0 110.523 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.66 -174.89 37.39 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 122.885 0.279 . . . . 0.0 113.515 169.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -117.85 159.64 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.573 0.749 . . . . 0.0 112.117 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.05 90.09 1.65 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.55 1.14 . . . . 0.0 109.039 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.44 -102.97 1.25 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 121.88 -0.512 . . . . 0.0 111.997 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -99.81 -19.64 16.59 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.475 0.637 . . . . 0.0 112.001 171.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -74.61 145.11 43.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.348 0.594 . . . . 0.0 110.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -137.23 112.73 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -174.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -88.16 125.3 34.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.298 0.639 . . . . 0.0 109.658 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.34 142.25 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.419 1.088 . . . . 0.0 110.122 -168.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.39 140.4 16.31 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 123.962 0.791 . . . . 0.0 111.359 170.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mt -127.72 136.13 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.365 1.066 . . . . 0.0 109.312 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -131.52 107.4 8.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.549 0.74 . . . . 0.0 109.504 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.11 158.09 76.48 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.935 0.894 . . . . 0.0 111.579 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.48 162.35 37.05 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.148 2.565 . . . . 0.0 112.357 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -66.05 -15.85 63.41 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.012 0.925 . . . . 0.0 112.198 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -18.46 65.32 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.889 1.276 . . . . 0.0 112.468 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.01 163.1 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.727 0.811 . . . . 0.0 110.974 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.52 161.94 14.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.506 171.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.09 126.61 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.016 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -155.03 171.58 19.51 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.823 0.849 . . . . 0.0 110.562 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -73.29 161.85 30.03 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 167.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.52 -25.59 68.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.906 -0.496 . . . . 0.0 112.214 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.74 -43.41 80.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -90.91 -29.82 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.419 0.688 . . . . 0.0 110.127 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -52.5 -29.52 25.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.737 0.815 . . . . 0.0 113.025 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.39 -21.83 64.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.558 1.143 . . . . 0.0 112.644 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 50' ' ' ARG . . . . . 0.438 ' O ' HD12 ' F' ' 55' ' ' LEU . 10.6 mpt_? -79.48 -22.58 43.86 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.831 2.053 . . . . 0.0 112.811 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -85.72 -63.06 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 O-C-N 121.131 -0.981 . . . . 0.0 111.868 -168.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.05 23.56 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -168.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 3.95 2.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 172.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.9 36.98 3.53 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.392 0.996 . . . . 0.0 111.879 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.438 HD12 ' O ' ' F' ' 50' ' ' ARG . 23.4 mt -132.2 -55.78 0.97 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.254 0.622 . . . . 0.0 112.594 -166.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 58.43 5.3 0.42 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 126.658 1.983 . . . . 0.0 113.976 -169.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.74 130.68 6.79 Favored Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 124.034 0.933 . . . . 0.0 109.715 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.06 -42.57 65.17 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.245 2.63 . . . . 0.0 113.338 173.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 N--CA 1.453 -0.306 0 C-N-CA 123.561 0.744 . . . . 0.0 110.258 -168.881 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 110.888 -3.075 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.241 3.041 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 1 O4'-C1'-N19 112.794 4.594 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 O4'-C1'-N19 112.429 4.229 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.024 2.824 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-O4' 114.508 3.792 . 0.046 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 1 C5'-C4'-C3' 108.902 -4.399 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C3'-C2'-C1' 103.86 2.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.375 0 O5'-C5'-C4' 113.407 2.29 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 110.021 -3.652 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 O4'-C1'-N19 111.484 3.284 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C4'-C3' 108.154 1.896 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 C5'-C4'-C3' 108.309 -4.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C4'-C3'-C2' 100.28 -2.42 . 0.446 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.794 3.594 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 O4'-C1'-N19 110.948 2.748 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 116.318 8.118 . 0.498 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C4'-C3' 108.246 1.962 . 0.349 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 111.93 3.73 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.41 4.21 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 1 O4'-C1'-N19 112.305 4.105 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-O4' 113.346 2.961 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 O4'-C1'-N19 112.692 4.492 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 O4'-C1'-N19 112.246 4.046 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 N19-C1'-C2' 108.759 -2.901 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 111.498 3.298 . 0.585 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 111.976 -2.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C5'-C4'-C3' 112.455 -2.03 . 0.068 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 111.187 -2.875 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . 0.4 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 C5'-C4'-C3' 109.498 -4.002 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 P-O3'-C3' 125.304 4.67 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.383 3.183 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.522 4.322 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 99.208 -3.492 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C4'-C3'-C2' 99.461 -3.239 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 O4'-C1'-N19 111.646 3.446 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 110.864 -3.091 . 0.113 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 O4'-C1'-N19 110.766 2.566 . 0.01 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C3'-C2'-C1' 104.215 3.017 . 0.204 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 113.041 4.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 C5'-C4'-C3' 109.002 -4.332 . 0.034 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 O4'-C1'-N19 112.436 4.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 111.54 3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 112.017 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.243 4.043 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.4 -3.3 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 O4'-C1'-N19 111.464 3.264 . 0.247 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 1 C3'-C2'-C1' 105.478 4.421 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 110.95 2.75 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 111.193 2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 0 C5'-C4'-C3' 111.737 -2.509 . 0.453 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.42 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.394 1 O5'-C5'-C4' 117.605 5.29 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-C3' 112.284 -2.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.337 4.137 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C5'-C4'-C3' 111.911 -2.393 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.121 2.921 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 1 O4'-C1'-N19 112.733 4.533 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C5'-C4'-C3' 111.764 -2.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 112.124 3.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 111.396 3.196 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.4 3.2 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.444 3.244 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C3'-C2'-C1' 104.17 2.967 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.571 -3.129 . 0.071 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C3'-C2'-C1' 104.061 2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C5'-C4'-C3' 110.997 -3.002 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.542 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.177 1 C3'-C2'-C1' 97.315 -4.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C4'-C3'-C2' 100.017 -2.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 111.56 -2.627 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 1 O4'-C1'-N19 112.281 4.081 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.095 2.895 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 113.463 5.263 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.082 -0.485 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.52 112.32 24.67 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.51 0.724 . . . . 0.0 109.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.63 135.15 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.828 0.851 . . . . 0.0 109.921 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.8 mt -132.26 156.45 46.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 109.609 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -117.86 100.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.91 138.85 49.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.845 0.858 . . . . 0.0 110.64 -168.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -103.13 157.05 17.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.627 0.371 . . . . 0.0 110.44 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.53 122.94 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.667 0.787 . . . . 0.0 110.894 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.27 -2.29 65.39 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.177 0.894 . . . . 0.0 113.989 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -98.4 165.17 11.97 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.494 1.147 . . . . 0.0 111.415 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -132.94 157.85 44.09 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mm -116.5 160.55 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.654 1.981 . . . . 0.0 108.491 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -131.48 137.82 48.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.528 1.131 . . . . 0.0 109.94 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -130.76 132.21 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.06 0.944 . . . . 0.0 109.225 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -131.98 36.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -122.92 -0.65 8.98 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -131.99 -21.78 2.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mt -100.64 140.38 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 118.774 0.716 . . . . 0.0 110.704 -170.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -131.62 138.19 48.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.448 1.099 . . . . 0.0 109.402 172.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -119.77 139.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.326 1.05 . . . . 0.0 108.227 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.4 m -135.61 131.63 36.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.849 0.75 . . . . 0.0 110.061 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.98 97.26 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.85 -31.89 68.75 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.813 -0.554 . . . . 0.0 110.689 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.62 -177.2 44.56 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 113.795 0.278 . . . . 0.0 113.795 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.22 152.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -137.19 60.98 1.63 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.497 1.119 . . . . 0.0 109.612 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.29 -120.86 5.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.45 -11.85 58.24 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.557 0.743 . . . . 0.0 112.003 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -98.99 150.52 21.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.922 0.868 . . . . 0.0 112.167 171.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -127.31 138.59 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.745 2.018 . . . . 0.0 108.151 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm105 -119.21 107.6 13.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.344 0.592 . . . . 0.0 110.698 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.7 mt -111.99 135.72 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.53 1.532 . . . . 0.0 109.269 -170.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.05 138.45 13.9 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 123.691 0.662 . . . . 0.0 111.558 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -111.75 131.48 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.16 1.384 . . . . 0.0 108.111 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -121.29 74.97 1.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.226 1.01 . . . . 0.0 109.23 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.75 155.2 40.24 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.665 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 154.26 59.94 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.394 2.062 . . . . 0.0 110.473 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -68.87 -4.34 16.0 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -68.7 -25.67 64.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.87 0.868 . . . . 0.0 112.032 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.35 143.96 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.935 0.874 . . . . 0.0 111.9 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.95 27.43 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.329 1.052 . . . . 0.0 110.749 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.98 129.56 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.913 0.485 . . . . 0.0 110.053 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -150.16 158.5 44.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.009 0.524 . . . . 0.0 111.715 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -69.63 160.7 31.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.154 0.582 . . . . 0.0 110.471 169.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.78 -38.78 89.31 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -78.52 1.55 22.04 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.0 -11.22 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.862 1.265 . . . . 0.0 111.034 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -79.49 -35.45 40.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 120.377 -1.452 . . . . 0.0 110.384 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.72 -9.93 59.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.197 0.599 . . . . 0.0 112.274 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -21.88 28.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.093 1.357 . . . . 0.0 110.96 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 55' ' ' LEU . 72.8 mt -82.42 -48.03 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.324 1.45 . . . . 0.0 108.642 175.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -83.82 5.18 26.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.682 . . . . 0.0 112.799 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.582 0.753 . . . . 0.0 111.673 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.03 36.92 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.007 0.337 . . . . 0.0 112.843 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 51' ' ' ILE . 7.3 mt -125.2 178.1 5.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.472 1.509 . . . . 0.0 108.198 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p 64.63 147.27 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.435 1.894 . . . . 0.0 114.055 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.99 154.49 48.4 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.958 0.903 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.29 164.08 33.5 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.409 2.739 . . . . 0.0 111.84 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.495 1.118 . . . . 0.0 111.377 173.603 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.669 -0.205 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.36 120.73 40.6 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.266 1.427 . . . . 0.0 107.228 169.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.412 HD11 " C4'" ' G' ' 52' ' ' ' A' . 64.5 mt -116.28 132.77 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 112.013 -165.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.4 mt -136.37 142.54 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.771 1.228 . . . . 0.0 110.662 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -107.88 128.89 55.02 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.293 0.637 . . . . 0.0 109.747 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -130.58 126.45 36.74 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.85 1.26 . . . . 0.0 110.604 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -75.25 153.05 38.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.631 167.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -57.19 125.75 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.503 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.69 -8.8 58.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 118.885 -0.953 . . . . 0.0 115.242 -173.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -87.71 169.7 11.88 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.318 1.559 . . . . 0.0 111.647 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -141.32 158.14 44.27 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -168.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -133.4 154.68 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 127.148 2.179 . . . . 0.0 108.642 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 144.3 50.87 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.522 1.129 . . . . 0.0 110.846 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -133.44 129.88 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.527 1.131 . . . . 0.0 109.417 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.85 51.59 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -124.6 4.97 8.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.849 0.86 . . . . 0.0 112.632 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.5 -21.79 10.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.51 138.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 118.982 0.81 . . . . 0.0 111.481 -169.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -134.47 149.04 50.68 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.96 1.304 . . . . 0.0 110.029 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mm -129.91 139.48 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.815 1.646 . . . . 0.0 108.449 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -135.91 129.13 31.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.256 0.623 . . . . 0.0 110.322 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.75 109.77 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 169.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.56 -33.08 54.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.022 -0.424 . . . . 0.0 110.816 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.08 178.3 35.85 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 122.563 0.125 . . . . 0.0 112.992 171.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -111.02 152.47 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.134 0.492 . . . . 0.0 110.78 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -133.39 78.14 1.76 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.629 1.172 . . . . 0.0 108.695 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -115.97 4.75 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.09 6.43 44.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 151.32 21.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.206 1.002 . . . . 0.0 110.072 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.11 116.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.55 116.65 23.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.423 1.089 . . . . 0.0 109.514 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.44 131.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.397 1.079 . . . . 0.0 109.851 -169.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.48 139.33 14.48 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.16 131.2 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.849 0.833 . . . . 0.0 109.22 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.17 78.18 1.8 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.6 -167.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.08 157.04 65.2 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 109.287 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -58.72 154.54 42.66 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.724 1.616 . . . . 0.0 109.634 168.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -0.63 11.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.792 0.806 . . . . 0.0 110.908 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -26.19 67.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.267 1.827 . . . . 0.0 111.261 172.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -108.02 144.05 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.369 1.068 . . . . 0.0 109.966 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.11 141.57 29.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 111.374 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.18 97.54 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.322 -166.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.23 161.61 41.67 Favored 'General case' 0 N--CA 1.458 -0.045 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -69.45 161.08 30.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.011 0.924 . . . . 0.0 111.833 170.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.29 -46.37 69.31 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 123.617 0.767 . . . . 0.0 112.727 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.93 -14.83 62.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.406 ' CG2' " H1'" ' G' ' 26' ' ' ' A' . 13.2 mm -93.34 -50.1 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.371 0.669 . . . . 0.0 110.495 170.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -47.49 -42.94 23.96 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 111.218 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.72 -15.3 62.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.794 1.238 . . . . 0.0 114.262 -169.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.548 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.0 mpt_? -89.06 -33.2 17.21 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.257 0.935 . . . . 0.0 112.033 172.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.87 -62.08 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.119 0.967 . . . . 0.0 112.565 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 2.38 2.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.652 -0.655 . . . . 0.0 112.552 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.16 -20.18 60.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.332 0.653 . . . . 0.0 111.991 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.33 31.68 0.06 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.174 -0.792 . . . . 0.0 114.839 169.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -168.48 -172.98 1.82 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.448 1.124 . . . . 0.0 112.656 -167.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -133.96 -167.7 2.0 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.753 1.221 . . . . 0.0 109.569 168.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 126.4 4.48 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.729 0.812 . . . . 0.0 111.438 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.88 147.96 30.84 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.907 3.072 . . . . 0.0 114.01 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t0 . . . . . 0 N--CA 1.455 -0.202 0 C-N-CA 125.216 1.406 . . . . 0.0 112.881 173.031 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.31 106.55 14.46 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 167.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.49 134.71 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.72 0.808 . . . . 0.0 109.23 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -128.7 134.94 48.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.269 0.628 . . . . 0.0 109.497 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -99.43 134.18 42.67 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.164 0.985 . . . . 0.0 110.367 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.497 HH11 HD12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -146.03 160.99 41.11 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.544 167.545 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -85.09 160.22 20.02 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.49 1.116 . . . . 0.0 109.428 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.72 138.91 19.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 O-C-N 121.708 -0.62 . . . . 0.0 111.63 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.58 83.53 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.673 1.13 . . . . 0.0 114.467 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.69 -175.95 4.82 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.429 1.615 . . . . 0.0 112.922 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.55 151.41 47.29 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 124.561 1.144 . . . . 0.0 113.141 -166.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.82 150.85 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 108.855 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.52 147.55 45.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.543 1.137 . . . . 0.0 111.923 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -132.72 129.38 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.44 1.096 . . . . 0.0 108.706 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.65 -139.55 42.28 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.01 10.01 10.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.077 0.951 . . . . 0.0 111.915 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -116.77 -19.4 9.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.254 1.021 . . . . 0.0 113.026 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.01 139.67 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.798 0.726 . . . . 0.0 111.126 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -129.44 141.85 50.93 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.487 1.115 . . . . 0.0 109.566 172.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.94 135.31 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.925 1.29 . . . . 0.0 108.384 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -122.58 141.73 51.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.875 0.87 . . . . 0.0 110.054 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -101.95 116.16 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.6 HD13 " H1'" ' G' ' 67' ' ' ' C' . 4.1 mt -89.74 -39.33 13.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -175.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -177.75 42.24 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.594 -0.336 . . . . 0.0 113.749 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.01 148.58 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.315 0.646 . . . . 0.0 110.906 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -147.26 112.58 5.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.964 1.306 . . . . 0.0 108.114 170.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.47 -142.02 29.56 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.441 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.86 5.27 29.51 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.365 0.666 . . . . 0.0 110.952 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.97 144.78 25.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.934 1.694 . . . . 0.0 110.715 -174.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.14 119.91 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -81.88 115.47 21.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.484 0.584 . . . . 0.0 109.523 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -116.99 127.01 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.272 1.429 . . . . 0.0 109.509 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.35 141.21 17.3 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.074 1.321 . . . . 0.0 111.86 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.61 132.16 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.91 92.04 2.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.334 0.653 . . . . 0.0 109.482 -173.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.22 154.7 80.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.031 0.932 . . . . 0.0 110.033 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.02 151.48 81.3 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.438 2.092 . . . . 0.0 110.895 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.33 -1.06 3.02 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.43 0.692 . . . . 0.0 112.446 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -23.64 66.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.473 1.109 . . . . 0.0 111.426 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.61 147.5 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.081 0.953 . . . . 0.0 110.544 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.07 155.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.187 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.0 130.27 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 169.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -153.94 162.19 41.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.038 0.535 . . . . 0.0 111.691 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -81.42 160.37 24.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 166.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.89 -36.3 76.66 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -168.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.36 -21.27 62.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -93.99 -36.11 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.406 0.683 . . . . 0.0 110.636 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -51.68 -36.32 46.07 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.153 0.981 . . . . 0.0 112.492 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.93 -30.24 67.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.744 0.818 . . . . 0.0 112.481 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -67.87 -38.06 82.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.542 0.737 . . . . 0.0 111.77 174.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.0 mp -69.13 -19.58 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -95.06 1.59 55.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.978 0.911 . . . . 0.0 112.68 173.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.35 -2.05 58.38 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.792 0.837 . . . . 0.0 113.226 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.18 5.15 60.86 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.054 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 59.89 -172.23 0.12 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.704 1.601 . . . . 0.0 112.262 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.2 t -78.76 149.04 32.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.953 -0.467 . . . . 0.0 110.973 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.57 71.36 1.48 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.259 1.424 . . . . 0.0 113.409 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.66 147.48 91.78 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.022 2.481 . . . . 0.0 112.534 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 CA--C 1.528 0.119 0 C-N-CA 126.595 1.958 . . . . 0.0 116.037 168.533 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.75 107.28 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.79 140.3 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.383 1.073 . . . . 0.0 108.898 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.77 158.91 38.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 110.858 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 109.87 21.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 165.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -111.4 130.87 55.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.521 0.329 . . . . 0.0 110.6 -177.324 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -77.04 153.35 34.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.283 170.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -57.95 136.54 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -3.82 85.89 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.004 -0.886 . . . . 0.0 114.205 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.47 168.49 12.15 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.951 1.376 . . . . 0.0 111.836 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -126.79 155.59 42.58 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 112.818 -169.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -140.14 161.08 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 126.961 2.104 . . . . 0.0 108.472 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -141.5 151.31 43.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.154 0.981 . . . . 0.0 111.955 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -134.86 138.27 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 109.087 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -135.39 52.02 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -124.45 8.95 8.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.054 0.942 . . . . 0.0 111.807 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.67 -11.27 2.72 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.57 137.23 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 118.736 0.698 . . . . 0.0 110.582 -171.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -121.01 149.25 42.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.56 1.144 . . . . 0.0 109.719 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -132.36 145.55 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.886 1.675 . . . . 0.0 107.498 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -143.54 129.41 19.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.627 -0.671 . . . . 0.0 109.965 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ILE . . . . . 0.4 HG22 ' H ' ' D' ' 22' ' ' ILE . 2.2 tp -84.86 96.91 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 173.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.44 -28.52 62.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.97 -0.456 . . . . 0.0 110.82 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.48 40.04 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.106 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -108.03 158.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.833 0.853 . . . . 0.0 110.401 169.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.9 t -145.24 76.72 1.49 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 109.645 171.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.85 -113.36 3.66 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.446 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 8.9 mp0 -99.69 -0.27 40.48 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.473 0.709 . . . . 0.0 110.656 171.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -78.74 160.05 27.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 111.817 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -134.04 124.77 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.62 169.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -84.54 115.35 22.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.051 0.94 . . . . 0.0 108.845 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.497 HD12 HH11 ' C' ' 6' ' ' ARG . 1.8 mt -121.19 119.87 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 O-C-N 123.71 0.631 . . . . 0.0 109.315 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.7 132.12 11.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mt -121.68 135.94 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -138.04 89.86 2.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.232 0.539 . . . . 0.0 109.799 -169.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.36 158.54 61.0 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 124.749 1.22 . . . . 0.0 109.7 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -62.14 151.16 83.59 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.876 1.717 . . . . 0.0 110.205 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -65.16 -0.74 1.81 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.308 0.643 . . . . 0.0 112.459 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.0 -24.82 66.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.066 1.346 . . . . 0.0 111.433 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.79 159.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.546 1.138 . . . . 0.0 110.934 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 157.04 16.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.14 123.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.891 0.477 . . . . 0.0 110.473 168.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -149.62 155.82 40.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.897 0.879 . . . . 0.0 110.965 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -69.36 160.01 32.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.031 -0.418 . . . . 0.0 110.608 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.19 -32.52 71.16 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.61 0.764 . . . . 0.0 112.056 -170.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.67 -43.49 72.48 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 124.488 1.115 . . . . 0.0 112.137 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -88.74 -37.13 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.514 1.126 . . . . 0.0 110.649 -170.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -50.44 -41.3 52.44 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 170.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -67.71 -25.6 65.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 3.3 mtt85 -76.42 -35.2 58.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 119.268 0.94 . . . . 0.0 111.164 171.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -77.49 -39.41 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -78.16 0.22 25.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.816 0.846 . . . . 0.0 111.051 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -70.0 -18.27 63.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.629 0.772 . . . . 0.0 111.473 169.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.57 36.52 0.23 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.907 -0.941 . . . . 0.0 114.441 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.8 -173.76 4.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.897 1.348 . . . . 0.0 114.079 -168.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 23.6 m -132.07 153.91 49.96 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 126.54 1.936 . . . . 0.0 106.758 166.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.77 125.73 8.2 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 118.589 0.631 . . . . 0.0 112.075 -169.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.06 165.02 13.05 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.262 1.975 . . . . 0.0 114.896 -170.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.925 -172.556 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -106.63 119.33 39.01 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.317 0.647 . . . . 0.0 110.895 -167.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.26 137.78 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.143 0.977 . . . . 0.0 109.192 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.66 164.16 26.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 110.898 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 105.59 8.0 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 166.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -112.4 128.98 56.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.432 1.493 . . . . 0.0 109.863 -171.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -93.05 165.15 12.99 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.719 1.145 . . . . 0.0 112.575 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -59.79 137.9 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.45 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.53 -3.65 83.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.06 0.838 . . . . 0.0 114.114 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -97.0 172.64 7.72 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.673 1.236 . . . . 0.0 111.341 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -132.72 158.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -169.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.83 157.19 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 127.147 2.179 . . . . 0.0 108.144 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -135.86 149.07 48.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.581 -0.7 . . . . 0.0 112.827 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.45 134.23 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.716 1.206 . . . . 0.0 109.021 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.23 -138.64 48.64 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.39 9.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.946 0.898 . . . . 0.0 112.517 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -126.08 -14.5 6.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.12 135.56 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 119.215 0.916 . . . . 0.0 111.165 -170.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -125.94 143.31 51.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.651 1.181 . . . . 0.0 109.823 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -123.7 141.04 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.194 1.398 . . . . 0.0 108.117 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -136.78 126.09 24.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.925 0.49 . . . . 0.0 109.952 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.82 102.62 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.03 -29.79 63.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.097 -0.377 . . . . 0.0 110.927 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.06 -173.65 34.66 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 123.379 0.514 . . . . 0.0 113.537 170.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.72 159.91 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 124.033 0.933 . . . . 0.0 111.861 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.94 93.77 2.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.528 1.131 . . . . 0.0 109.084 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.45 -112.91 4.97 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.25 -22.33 19.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 117.519 0.659 . . . . 0.0 111.564 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.01 140.36 52.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.341 0.591 . . . . 0.0 109.932 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.23 115.48 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -91.56 122.79 34.45 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.315 0.646 . . . . 0.0 109.539 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.01 131.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.351 0.66 . . . . 0.0 110.717 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.84 140.2 14.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.517 1.056 . . . . 0.0 111.276 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -131.42 125.92 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.715 1.206 . . . . 0.0 108.891 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -126.38 98.99 5.65 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.78 73.87 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.0 110.569 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.58 158.63 40.48 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.016 2.477 . . . . 0.0 112.08 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -72.11 -0.99 13.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 171.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.95 -22.59 66.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.412 1.085 . . . . 0.0 111.484 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.25 157.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.277 1.031 . . . . 0.0 110.435 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.58 160.22 14.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.98 127.98 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.105 0.562 . . . . 0.0 110.406 170.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -151.59 169.05 23.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.662 0.785 . . . . 0.0 111.119 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.0 155.82 39.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.53 -31.06 69.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.204 0.457 . . . . 0.0 111.76 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.76 -41.53 70.56 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.644 1.178 . . . . 0.0 112.229 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -89.89 -34.65 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.424 1.09 . . . . 0.0 109.737 -172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -51.98 -32.04 31.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.078 1.351 . . . . 0.0 112.987 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.66 -22.0 61.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.442 1.097 . . . . 0.0 112.672 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -78.95 -22.63 45.44 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 126.642 1.977 . . . . 0.0 112.703 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.73 -63.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.295 1.038 . . . . 0.0 112.015 -168.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 3.18 39.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.0 2.49 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 173.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.77 28.02 6.44 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.466 1.032 . . . . 0.0 112.152 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.39 2.09 11.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -166.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 21.8 p -64.79 -23.74 67.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.856 0.463 . . . . 0.0 111.7 170.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.35 135.22 19.51 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 124.101 0.96 . . . . 0.0 109.483 168.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.72 158.93 15.16 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.625 2.883 . . . . 0.0 113.891 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t0 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 125.197 1.399 . . . . 0.0 112.863 169.462 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.178 0.066 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.18 150.0 20.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.18 -0.325 . . . . 0.0 111.442 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.26 130.9 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 169.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.8 mt -127.3 156.36 42.06 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.726 1.21 . . . . 0.0 109.293 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -130.48 98.53 4.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 168.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 162.01 18.51 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 122.83 0.452 . . . . 0.0 110.723 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -106.36 175.27 5.56 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 122.934 0.494 . . . . 0.0 111.318 -172.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.76 137.76 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.02 84.33 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.106 0.86 . . . . 0.0 115.051 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -85.41 170.92 12.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 119.066 1.433 . . . . 0.0 112.293 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -133.0 150.06 52.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.872 0.869 . . . . 0.0 112.078 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -134.62 158.03 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 126.269 1.828 . . . . 0.0 107.746 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -133.57 149.52 51.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.43 0.692 . . . . 0.0 112.241 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.64 140.31 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.637 1.175 . . . . 0.0 109.028 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.57 -134.76 51.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.92 10.15 6.98 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -131.39 -21.21 2.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.91 138.6 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.385 0.993 . . . . 0.0 111.25 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -129.27 143.97 51.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.631 1.172 . . . . 0.0 110.628 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -125.04 129.28 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.3 1.44 . . . . 0.0 108.966 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -127.94 126.78 42.1 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.354 0.662 . . . . 0.0 110.384 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -85.82 111.88 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.38 -34.02 42.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.847 0.459 . . . . 0.0 110.268 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.56 -174.32 36.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.958 0.313 . . . . 0.0 113.465 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.9 160.37 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.738 0.815 . . . . 0.0 112.004 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.34 91.3 1.81 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.426 1.09 . . . . 0.0 109.218 169.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.78 -102.99 1.2 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -99.43 -18.26 17.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.394 0.597 . . . . 0.0 112.212 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.9 144.63 41.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.045 0.538 . . . . 0.0 110.535 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.03 111.19 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.33 120.54 30.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.235 0.614 . . . . 0.0 109.659 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.08 134.53 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.242 1.017 . . . . 0.0 110.146 -169.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.53 144.88 16.04 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.037 0.827 . . . . 0.0 111.369 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 64.0 mt -134.46 125.1 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.839 0.856 . . . . 0.0 109.279 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -118.18 103.88 10.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.066 0.946 . . . . 0.0 108.957 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.89 76.92 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.954 0.902 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.93 160.52 40.85 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.781 2.321 . . . . 0.0 112.263 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -64.74 -11.6 38.12 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.33 -14.48 61.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.804 1.242 . . . . 0.0 112.482 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -126.31 163.82 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.911 0.884 . . . . 0.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.94 162.97 13.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.364 0.666 . . . . 0.0 111.499 171.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.1 119.99 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.401 0.68 . . . . 0.0 110.153 172.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -152.26 173.28 15.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.779 0.832 . . . . 0.0 110.603 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.37 160.88 31.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.12 -22.3 66.88 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.47 -43.5 93.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.421 1.088 . . . . 0.0 111.731 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -87.44 -30.73 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.534 ' HA ' HG12 ' F' ' 51' ' ' ILE . 71.5 t80 -50.65 -35.77 32.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 0.0 112.8 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.75 -26.12 66.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.424 0.69 . . . . 0.0 112.051 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -80.85 -41.31 23.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.192 0.597 . . . . 0.0 110.093 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.534 HG12 ' HA ' ' F' ' 48' ' ' TYR . 8.1 mm -51.48 -37.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.641 1.176 . . . . 0.0 111.416 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -85.39 -37.43 19.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.87 -23.94 11.5 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -167.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.32 -26.05 0.5 Allowed Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.4 1.0 . . . . 0.0 113.69 -170.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.531 ' N ' HD13 ' F' ' 55' ' ' LEU . 0.0 OUTLIER 63.39 172.79 0.16 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 128.021 2.528 . . . . 0.0 113.158 173.046 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.4 p -95.74 -4.91 43.2 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.99 134.14 18.94 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.128 0.971 . . . . 0.0 110.02 171.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -64.28 177.58 1.99 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.033 2.489 . . . . 0.0 113.926 173.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 124.308 1.043 . . . . 0.0 112.074 175.335 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.321 0 O4'-C1'-N19 111.18 2.98 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 111.346 3.146 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.345 4.145 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.7 3.5 . 0.166 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-O4' 114.093 3.495 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.933 3.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C3'-C2'-C1' 103.826 2.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 O5'-C5'-C4' 113.226 2.161 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 110.136 -3.576 . 0.137 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 O4'-C1'-N19 111.061 2.861 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.436 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 111.73 -2.513 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 111.051 -2.966 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 100.15 -2.55 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.751 3.551 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 O4'-C1'-N19 110.571 2.371 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C5'-C4'-C3' 110.488 -3.341 . 0.662 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 111.684 -2.544 . 0.296 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 2 O4'-C1'-N19 113.682 5.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 O4'-C1'-N19 112.497 4.297 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 O4'-C1'-N19 112.394 4.194 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-O4' 112.682 2.487 . 0.384 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 112.459 4.259 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 112.119 3.919 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 N19-C1'-C2' 109.274 -2.579 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . 0.406 " H1'" ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.223 3.023 . 0.527 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C5'-C4'-C3' 111.509 -2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 0 C5'-C4'-C3' 111.453 -2.698 . 0.084 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 C5'-C4'-C3' 111.439 -2.707 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 C5'-C4'-C3' 109.171 -4.22 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 P-O3'-C3' 125.498 4.832 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 O4'-C1'-N19 111.065 2.865 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.451 4.251 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.205 -3.495 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 99.385 -3.315 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.089 3.889 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 1 O4'-C1'-N19 115.699 7.499 . 0.382 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 C5'-C4'-C3' 109.644 -3.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C3'-C2'-C1' 103.803 2.559 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 113.069 4.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.441 1 C5'-C4'-C3' 109.061 -4.292 . 0.053 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O4'-C1'-N19 112.183 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 112.168 3.968 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C4'-C3'-C2' 99.334 -3.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 2 C4'-C3'-C2' 98.531 -4.169 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.275 3.075 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.317 4.117 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C3'-C2'-C1' 104.935 3.817 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.751 -2.949 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 C5'-C4'-C3' 111.658 -2.561 . 0.446 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.412 " C4'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 O5'-C5'-C4' 117.483 5.202 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 112.185 -2.21 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 112.192 3.992 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 100.127 -2.573 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 110.869 2.669 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.911 4.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 O4'-C4'-C3' 109.098 2.57 . 0.235 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.124 3.924 . 0.0 OUTLIER '7D dist 2h' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 O4'-C1'-N19 111.073 2.873 . 0.269 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 O4'-C1'-N19 111.18 2.98 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 1 C3'-C2'-C1' 105.216 4.129 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-O4' 114.001 3.429 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 P-O3'-C3' 123.316 3.014 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C3'-C2'-C1' 103.816 2.574 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C5'-C4'-C3' 111.143 -2.905 . 0.149 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.6 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.24 2 C3'-C2'-C1' 96.848 -5.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 C5'-C4'-C3' 109.132 -4.246 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 N19-C1'-C2' 109.163 -2.648 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 O4'-C1'-N19 112.283 4.083 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 O4'-C1'-N19 111.269 3.069 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 110.457 -3.362 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 118.964 -0.541 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.99 113.65 25.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.344 0.658 . . . . 0.0 109.919 -174.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -98.74 134.79 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.36 152.5 50.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.75 0.82 . . . . 0.0 109.937 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.5 m -128.05 100.95 6.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.797 0.839 . . . . 0.0 109.536 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -129.12 152.34 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.936 0.494 . . . . 0.0 111.08 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 162.56 13.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.631 0.773 . . . . 0.0 111.475 -177.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 ' HA2' ' A' ' 24' ' ' GLY . 56.0 t -43.3 129.88 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.318 1.047 . . . . 0.0 111.373 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.53 -6.04 70.74 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.294 0.949 . . . . 0.0 113.989 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -93.59 170.83 9.3 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.621 1.21 . . . . 0.0 112.177 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -139.27 154.84 48.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.0 mm -123.06 158.03 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 126.577 1.951 . . . . 0.0 109.715 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -128.04 139.71 52.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.303 1.041 . . . . 0.0 111.217 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -134.42 135.62 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.43 1.092 . . . . 0.0 109.425 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.63 -129.99 25.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.34 -0.6 6.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.0 0.92 . . . . 0.0 112.224 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -137.04 -15.43 1.51 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -169.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.41 137.55 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.394 0.678 . . . . 0.0 110.968 -168.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -138.94 127.84 23.62 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.319 0.647 . . . . 0.0 110.315 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -108.8 145.51 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.413 1.085 . . . . 0.0 108.998 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.7 m -138.4 135.01 34.86 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.208 0.603 . . . . 0.0 110.278 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -86.25 95.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 169.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.01 -26.83 65.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.983 -0.448 . . . . 0.0 110.316 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.45 -167.94 41.03 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 117.764 0.256 . . . . 0.0 113.607 169.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.85 146.1 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.779 0.832 . . . . 0.0 110.605 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 m -136.41 64.4 1.55 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.877 1.271 . . . . 0.0 109.814 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.12 -120.38 7.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.94 -4.33 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.442 0.697 . . . . 0.0 111.921 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -98.96 159.18 15.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.623 0.725 . . . . 0.0 111.69 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.07 133.72 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.227 1.411 . . . . 0.0 108.755 -170.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -102.09 101.84 12.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.666 0.786 . . . . 0.0 109.194 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.84 134.11 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.376 1.07 . . . . 0.0 109.887 -173.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.57 144.61 17.64 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.902 0.763 . . . . 0.0 111.997 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.26 130.7 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.414 1.486 . . . . 0.0 108.536 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -116.97 74.93 0.94 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.687 0.795 . . . . 0.0 109.613 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.82 153.26 39.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.233 0.613 . . . . 0.0 110.994 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.29 155.04 51.56 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.62 2.213 . . . . 0.0 110.247 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -67.87 -4.3 12.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -71.03 -20.22 62.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 112.17 170.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -119.14 144.07 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.946 0.879 . . . . 0.0 111.549 170.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.79 143.06 36.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.774 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.74 126.95 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-N 118.399 0.545 . . . . 0.0 110.404 170.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 99.2 m-70 -153.51 -175.99 5.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.963 0.905 . . . . 0.0 110.458 -169.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 172.59 12.09 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 170.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.92 -36.59 74.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.773 1.229 . . . . 0.0 113.583 -166.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.53 -12.69 58.86 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.57 -28.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.607 1.163 . . . . 0.0 111.235 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -62.2 -31.42 71.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.546 -0.721 . . . . 0.0 110.847 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.38 -20.55 60.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.989 0.915 . . . . 0.0 111.741 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.36 -30.75 53.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.14 0.976 . . . . 0.0 111.389 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -52.83 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.919 0.888 . . . . 0.0 109.75 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -76.87 5.22 8.22 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.8 0.84 . . . . 0.0 111.445 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.52 66.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.042 0.537 . . . . 0.0 112.01 168.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.42 21.04 0.96 Allowed Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.794 0.712 . . . . 0.0 113.592 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -128.49 170.45 13.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.324 1.049 . . . . 0.0 111.81 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p -144.61 150.28 37.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.139 0.975 . . . . 0.0 110.927 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.52 152.33 45.12 Favored Pre-proline 0 N--CA 1.454 -0.243 0 C-N-CA 123.482 0.713 . . . . 0.0 111.703 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.26 -175.93 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.034 2.489 . . . . 0.0 112.803 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.9 t0 . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 125.088 1.355 . . . . 0.0 110.327 -176.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -114.82 124.77 52.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.1 139.41 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -165.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -134.42 143.56 47.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.024 1.33 . . . . 0.0 110.766 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.415 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 13.4 m -119.39 105.6 11.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -130.91 155.7 46.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.534 0.734 . . . . 0.0 110.34 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -90.69 164.76 14.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.18 131.14 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.238 0.542 . . . . 0.0 110.315 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.21 -5.26 62.98 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.121 -0.822 . . . . 0.0 114.822 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.71 158.89 20.64 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.119 1.46 . . . . 0.0 112.752 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -121.2 146.13 47.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.488 1.115 . . . . 0.0 111.772 -171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.97 152.81 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.877 1.671 . . . . 0.0 108.664 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -137.25 143.14 42.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.574 -0.704 . . . . 0.0 112.732 -169.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.78 132.65 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.468 1.107 . . . . 0.0 109.853 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -139.88 47.88 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.664 0.65 . . . . 0.0 111.513 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.85 0.99 12.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.893 0.877 . . . . 0.0 111.852 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -120.87 -16.57 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.75 0.82 . . . . 0.0 113.184 -169.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.59 135.86 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.716 0.769 . . . . 0.0 110.904 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 147.89 50.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.522 1.129 . . . . 0.0 109.535 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.0 mm -127.92 144.01 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.876 1.671 . . . . 0.0 107.788 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -140.29 128.59 22.53 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -80.44 110.19 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -81.97 -29.36 32.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.977 -0.452 . . . . 0.0 110.912 -177.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -178.94 34.14 Favored Glycine 0 C--N 1.335 0.482 0 CA-C-O 120.9 0.166 . . . . 0.0 112.724 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -108.97 152.38 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.265 0.555 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -135.47 76.27 1.61 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.594 1.158 . . . . 0.0 108.37 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -114.45 4.02 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.87 15.5 22.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.177 0.489 . . . . 0.0 111.337 169.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -98.91 158.26 15.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.462 1.105 . . . . 0.0 109.544 169.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.76 116.58 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -84.45 116.28 23.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.239 1.416 . . . . 0.0 109.206 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -128.54 130.64 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.889 0.876 . . . . 0.0 110.034 -171.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.93 140.13 14.87 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 123.593 0.616 . . . . 0.0 111.85 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.8 mt -123.78 130.59 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.155 0.982 . . . . 0.0 108.896 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -132.53 79.34 1.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.649 -168.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.65 158.49 64.79 Favored Pre-proline 0 N--CA 1.45 -0.45 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.812 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.3 156.47 40.44 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.09 1.86 . . . . 0.0 111.166 169.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -67.63 -0.7 4.17 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.572 0.749 . . . . 0.0 112.3 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.86 -27.55 68.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.372 1.469 . . . . 0.0 111.317 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -109.47 144.15 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.629 1.172 . . . . 0.0 110.11 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 141.41 29.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 170.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t -144.29 97.39 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.856 -167.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.535 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.2 OUTLIER -144.78 163.97 32.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 C-N-CA 123.941 0.896 . . . . 0.0 110.293 177.128 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 16.4 ptt180 -66.98 157.6 32.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.111 -0.368 . . . . 0.0 111.78 170.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -53.05 -38.68 62.67 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.751 0.82 . . . . 0.0 112.012 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.22 -52.62 20.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.753 0.821 . . . . 0.0 111.57 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -73.88 -43.9 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.264 1.026 . . . . 0.0 110.864 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -50.79 -37.31 41.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.315 1.046 . . . . 0.0 112.0 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.02 -26.69 66.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.4 mpt_? -79.06 -39.1 34.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.94 0.791 . . . . 0.0 110.326 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.59 -41.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -78.89 5.03 12.46 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 173.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.39 -18.12 49.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.852 0.461 . . . . 0.0 111.612 169.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.65 46.33 0.09 OUTLIER Glycine 0 C--N 1.338 0.659 0 CA-C-O 119.449 -0.64 . . . . 0.0 114.345 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -176.46 2.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.914 0.857 . . . . 0.0 112.815 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -125.92 178.3 5.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.277 1.431 . . . . 0.0 109.577 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 120.79 1.86 Allowed Pre-proline 0 N--CA 1.454 -0.239 0 C-N-CA 124.35 1.06 . . . . 0.0 111.797 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -56.33 129.48 35.0 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.091 2.527 . . . . 0.0 112.722 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 CA--C 1.529 0.139 0 C-N-CA 126.513 1.925 . . . . 0.0 114.827 172.431 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.15 108.73 19.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 168.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.0 134.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.689 0.795 . . . . 0.0 109.412 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -128.98 135.01 48.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.144 0.978 . . . . 0.0 109.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -93.93 143.8 26.02 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.974 0.51 . . . . 0.0 110.649 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -146.06 124.03 12.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.525 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -76.51 151.81 36.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.85 137.89 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 O-C-N 121.77 -0.581 . . . . 0.0 112.127 -174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.75 -2.97 84.85 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.654 1.121 . . . . 0.0 114.129 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -93.06 174.86 7.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.082 1.441 . . . . 0.0 112.082 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -131.62 161.24 33.16 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mt -141.68 158.56 21.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 128.255 2.622 . . . . 0.0 107.749 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.94 150.55 51.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.238 -0.914 . . . . 0.0 112.243 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -132.21 133.84 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.507 1.123 . . . . 0.0 108.81 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 -140.63 45.09 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.688 0.661 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -116.06 4.27 13.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.751 1.221 . . . . 0.0 111.163 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -125.23 -14.46 6.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -169.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.98 139.36 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 118.873 0.76 . . . . 0.0 111.115 -169.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 50.1 m -122.33 142.79 50.13 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.605 1.162 . . . . 0.0 109.551 171.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 mm -122.97 139.16 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.027 1.331 . . . . 0.0 108.071 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -138.37 133.04 32.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.797 -0.564 . . . . 0.0 110.484 -174.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -90.2 117.46 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.443 HD13 " H1'" ' G' ' 67' ' ' ' C' . 5.2 mt -91.38 -37.86 12.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.097 -0.377 . . . . 0.0 110.198 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.41 -171.8 44.19 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.908 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.76 154.58 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.283 0.633 . . . . 0.0 111.615 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -146.73 110.46 4.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.833 1.253 . . . . 0.0 109.131 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -118.39 8.79 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -98.7 -7.71 27.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.5 ' HG3' ' CG ' ' D' ' 7' ' ' LYS . 7.0 mt-30 -77.08 149.8 35.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.738 0.78 . . . . 0.0 110.924 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' D' ' 30' ' ' VAL . 39.6 t -133.44 115.67 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -78.12 105.01 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -108.76 135.73 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 125.433 1.493 . . . . 0.0 108.932 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.98 137.21 14.05 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.65 1.119 . . . . 0.0 112.119 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.25 113.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.021 1.328 . . . . 0.0 107.887 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -122.26 89.98 3.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.687 -168.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.14 158.82 69.85 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.696 1.198 . . . . 0.0 110.142 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.51 150.96 82.96 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.394 2.063 . . . . 0.0 110.806 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.25 -0.9 1.96 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.662 0.785 . . . . 0.0 112.64 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.88 -22.19 66.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.374 1.069 . . . . 0.0 111.336 169.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.77 145.89 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.181 0.993 . . . . 0.0 110.316 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.69 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.611 0.365 . . . . 0.0 111.157 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -137.11 133.51 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -152.4 168.03 26.78 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.572 0.749 . . . . 0.0 110.555 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 27.2 ptt-85 -88.52 157.16 18.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 166.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -58.3 -35.78 72.35 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.241 0.616 . . . . 0.0 112.555 -168.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.2 -19.9 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.517 1.127 . . . . 0.0 113.497 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.41 -36.5 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.869 0.867 . . . . 0.0 110.815 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -51.59 -35.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.592 1.157 . . . . 0.0 112.686 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.16 -29.89 67.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.706 0.802 . . . . 0.0 112.582 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.58 -37.94 83.34 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.498 0.719 . . . . 0.0 111.735 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp -69.51 -19.12 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 O-C-N 122.075 -0.391 . . . . 0.0 109.992 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -95.39 0.42 53.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.793 0.837 . . . . 0.0 112.611 173.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.89 -6.01 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.783 0.833 . . . . 0.0 113.003 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.04 -131.66 2.38 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -175.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 mt 67.38 172.34 0.26 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.432 1.493 . . . . 0.0 111.965 172.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 42.8 p 50.69 13.73 0.15 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 126.98 2.112 . . . . 0.0 115.268 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.43 85.76 4.47 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.141 1.376 . . . . 0.0 108.995 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -67.21 174.67 6.71 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.95 2.433 . . . . 0.0 113.24 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.455 -0.205 0 C-N-CA 124.011 0.924 . . . . 0.0 112.586 178.877 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.404 ' HE2' ' C6 ' ' G' ' 67' ' ' ' C' . 6.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -118.28 122.8 43.82 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.856 1.662 . . . . 0.0 108.982 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.61 135.44 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 109.913 -168.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.05 161.29 37.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.046 1.338 . . . . 0.0 111.51 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -105.62 116.98 32.86 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.27 133.73 53.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.564 0.746 . . . . 0.0 109.638 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' HG3' ' C' ' 29' ' ' GLN . 54.0 mttt -86.79 159.18 19.2 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 118.479 0.581 . . . . 0.0 111.356 172.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.35 137.35 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.2 0.524 . . . . 0.0 111.833 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.31 83.74 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.373 0.987 . . . . 0.0 114.109 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -94.69 175.62 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.879 1.34 . . . . 0.0 112.264 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.4 m -132.73 157.38 45.05 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 39.7 mt -137.73 161.56 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.705 2.402 . . . . 0.0 108.892 -177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.45 150.89 45.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.137 0.975 . . . . 0.0 112.419 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -135.85 139.26 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.815 1.246 . . . . 0.0 109.11 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.58 -136.52 51.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -123.61 9.91 9.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.196 0.998 . . . . 0.0 111.68 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.41 -13.23 2.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.72 137.58 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.678 0.672 . . . . 0.0 110.658 -172.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -122.87 149.85 43.66 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.411 1.084 . . . . 0.0 109.945 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -131.57 144.67 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 125.969 1.707 . . . . 0.0 107.701 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.97 130.16 26.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.17 100.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 171.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -75.45 -31.46 60.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.841 0.456 . . . . 0.0 110.712 -171.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.25 -175.73 41.67 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 121.971 -0.156 . . . . 0.0 113.237 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 m -107.9 156.47 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.654 0.781 . . . . 0.0 109.938 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -140.35 75.88 1.53 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.528 0.731 . . . . 0.0 109.372 169.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.41 -113.41 3.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.466 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.3 mp0 -95.55 -3.72 46.0 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.619 0.767 . . . . 0.0 110.395 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.14 155.92 31.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.579 0.704 . . . . 0.0 111.596 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' C' ' 30' ' ' VAL . 41.2 t -129.66 123.39 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.4 1.48 . . . . 0.0 107.124 168.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -94.49 111.3 23.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.1 124.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.529 0.731 . . . . 0.0 110.092 -169.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.29 139.23 14.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 71.4 mt -129.7 136.43 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -138.08 89.92 2.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.898 -0.501 . . . . 0.0 109.753 -171.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.88 155.63 60.28 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 124.501 1.12 . . . . 0.0 109.839 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.17 150.5 86.55 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.066 1.844 . . . . 0.0 110.488 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.87 -1.06 6.34 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.8 -23.31 66.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.831 1.252 . . . . 0.0 111.515 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.02 159.99 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.271 1.029 . . . . 0.0 110.629 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.87 157.06 17.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.069 0.548 . . . . 0.0 112.117 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 125.24 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 O-C-N 121.953 -0.467 . . . . 0.0 110.67 169.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -148.22 165.99 29.27 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ARG . . . . . 0.443 ' HE ' ' CD ' ' D' ' 46' ' ' GLU . 72.6 mtm-85 -63.92 154.16 34.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 168.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.45 -26.59 68.02 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.584 -0.697 . . . . 0.0 111.651 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 46' ' ' GLU . . . . . 0.443 ' CD ' ' HE ' ' D' ' 44' ' ' ARG . 6.3 pt-20 -71.25 -23.76 62.05 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.891 0.876 . . . . 0.0 112.703 172.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -94.88 -35.83 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.903 1.281 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.59 -40.25 65.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.75 0.82 . . . . 0.0 110.884 173.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.38 -20.99 65.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.543 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 7.6 mtt85 -81.7 -37.76 26.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.973 0.806 . . . . 0.0 111.37 170.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.401 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 71.4 mt -73.83 -36.74 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -80.64 1.92 27.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.054 0.942 . . . . 0.0 110.986 173.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -75.88 -15.39 60.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.791 0.836 . . . . 0.0 111.456 168.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.83 40.59 0.28 Allowed Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.825 -0.986 . . . . 0.0 114.908 169.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.7 pp -158.56 179.03 9.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.071 1.435 . . . . 0.0 113.819 -168.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 29.8 m -141.73 90.35 2.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.079 1.352 . . . . 0.0 108.896 168.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 38.65 80.54 0.27 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 126.528 1.931 . . . . 0.0 114.649 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -64.35 175.56 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.114 2.543 . . . . 0.0 113.675 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.58 1.152 . . . . 0.0 113.126 177.095 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.51 115.76 30.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.14 0.576 . . . . 0.0 110.776 -168.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.68 140.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.987 0.915 . . . . 0.0 109.663 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.61 165.02 25.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.457 1.503 . . . . 0.0 111.28 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.5 103.84 6.64 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 167.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -110.46 128.89 55.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.623 1.569 . . . . 0.0 109.584 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.28 166.37 12.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 119.895 1.225 . . . . 0.0 112.383 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.01 139.35 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.381 -169.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.55 85.14 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.144 0.878 . . . . 0.0 114.146 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -96.55 176.5 6.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.637 1.218 . . . . 0.0 111.593 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -135.27 159.81 40.39 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -138.41 156.37 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 126.895 2.078 . . . . 0.0 108.258 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -133.71 148.51 51.45 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mt -137.11 135.43 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.741 1.217 . . . . 0.0 109.085 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.73 -139.09 47.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.44 10.05 7.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.962 0.905 . . . . 0.0 112.494 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -125.48 -14.2 6.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.85 135.07 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 119.243 0.929 . . . . 0.0 111.048 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -127.32 143.25 51.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.367 1.067 . . . . 0.0 109.938 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -122.55 140.67 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.982 1.313 . . . . 0.0 108.188 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 44.1 m -135.47 125.26 25.52 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.076 0.55 . . . . 0.0 110.08 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -79.85 103.5 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.03 -34.1 68.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.921 -0.487 . . . . 0.0 110.655 -175.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.15 -170.52 37.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.175 0.417 . . . . 0.0 113.655 169.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -122.8 161.41 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.972 0.909 . . . . 0.0 111.797 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.5 91.61 1.84 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.328 1.051 . . . . 0.0 109.306 169.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -103.02 1.34 Allowed Glycine 0 CA--C 1.525 0.665 0 O-C-N 121.835 -0.541 . . . . 0.0 111.784 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.05 -18.84 16.07 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.436 0.618 . . . . 0.0 112.003 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -70.55 145.73 50.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.93 118.84 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -95.88 122.19 38.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.679 0.791 . . . . 0.0 109.55 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.9 126.89 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.491 0.317 . . . . 0.0 110.889 -167.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.81 140.47 15.91 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.399 0.999 . . . . 0.0 111.413 172.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -130.1 122.41 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 124.979 1.312 . . . . 0.0 108.764 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -122.22 99.02 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 109.276 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.55 71.91 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.283 1.033 . . . . 0.0 110.443 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.59 158.67 40.36 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -71.59 -0.93 11.87 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.518 0.727 . . . . 0.0 112.679 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.01 -23.82 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.83 1.252 . . . . 0.0 112.147 169.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.05 160.99 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.827 0.851 . . . . 0.0 111.111 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.49 155.78 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 124.68 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.127 0.571 . . . . 0.0 109.736 168.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -148.67 170.59 17.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.706 0.802 . . . . 0.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -65.25 157.88 27.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.74 -26.94 68.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.098 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -60.03 -45.25 93.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.957 1.303 . . . . 0.0 111.996 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -84.49 -32.29 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.673 0.789 . . . . 0.0 110.226 -173.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.11 -35.17 61.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.552 1.141 . . . . 0.0 112.767 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.9 -26.16 67.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.64 0.776 . . . . 0.0 112.534 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.01 -23.03 61.33 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.646 0.778 . . . . 0.0 110.69 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 89.3 mt -96.83 -48.09 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.39 1.076 . . . . 0.0 109.407 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -70.63 3.09 3.36 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.23 66.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.671 0.788 . . . . 0.0 111.784 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.44 31.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.103 -0.832 . . . . 0.0 114.576 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.25 166.12 33.15 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.599 1.2 . . . . 0.0 112.9 -168.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -144.79 6.54 1.21 Allowed 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.682 1.193 . . . . 0.0 111.943 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.3 134.27 24.43 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.867 0.867 . . . . 0.0 110.247 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -59.98 172.9 2.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.6 2.867 . . . . 0.0 113.7 173.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.954 1.302 . . . . 0.0 112.737 177.362 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.21 147.44 25.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.288 0.495 . . . . 0.0 111.6 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.18 126.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.28 149.45 32.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 108.801 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.69 97.0 4.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 168.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.0 51.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.737 0.815 . . . . 0.0 111.163 -174.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -94.91 173.61 7.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -171.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -57.91 138.04 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.101 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -7.75 76.99 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.042 -0.866 . . . . 0.0 114.64 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.86 176.04 9.91 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.177 1.489 . . . . 0.0 112.412 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 33.7 m -146.44 155.1 42.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.041 0.936 . . . . 0.0 111.173 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -135.76 155.99 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 126.292 1.837 . . . . 0.0 108.006 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -130.27 151.85 50.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.254 -0.904 . . . . 0.0 112.501 -176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -136.48 140.87 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.741 1.216 . . . . 0.0 109.152 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.13 -139.27 48.87 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -119.51 10.06 11.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.07 0.948 . . . . 0.0 111.797 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.21 -15.33 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.61 137.09 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.22 0.918 . . . . 0.0 110.903 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -128.41 143.68 51.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.438 1.095 . . . . 0.0 110.65 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.36 138.15 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.961 1.705 . . . . 0.0 108.283 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -136.84 132.21 34.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.825 0.85 . . . . 0.0 109.984 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 22' ' ' ILE . . . . . 0.403 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.3 tp -88.54 110.79 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.9 -28.92 55.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.026 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.26 -168.41 30.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 123.826 0.727 . . . . 0.0 113.08 168.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -122.72 158.42 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 C-N-CA 123.598 0.759 . . . . 0.0 111.964 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -143.84 89.97 2.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.023 1.329 . . . . 0.0 109.084 169.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -105.91 1.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.76 -20.11 19.78 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.259 0.529 . . . . 0.0 111.901 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -74.28 143.79 44.87 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.163 0.585 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.06 111.34 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -87.62 124.33 33.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.3 134.13 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.756 0.822 . . . . 0.0 110.101 -168.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.06 137.92 13.68 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.31 138.62 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 109.61 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -127.4 110.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.245 1.018 . . . . 0.0 108.899 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.09 157.87 77.07 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.807 0.843 . . . . 0.0 111.189 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.8 160.59 40.04 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.744 2.296 . . . . 0.0 112.106 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.55 -14.64 44.46 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.77 -14.86 61.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.533 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -128.1 164.93 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.881 0.872 . . . . 0.0 111.025 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.97 14.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.388 0.675 . . . . 0.0 111.517 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.64 119.3 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.367 0.667 . . . . 0.0 109.929 169.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -152.21 173.58 14.81 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.975 0.91 . . . . 0.0 110.225 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -78.01 161.31 27.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.96 -0.463 . . . . 0.0 110.103 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -62.03 -23.48 66.48 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -170.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.6 -47.21 85.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.988 0.915 . . . . 0.0 111.621 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.27 -28.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.703 0.801 . . . . 0.0 110.155 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -54.91 -35.89 64.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.836 0.854 . . . . 0.0 112.423 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.57 -28.45 66.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.267 0.627 . . . . 0.0 112.377 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -71.72 -22.95 61.56 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.529 0.732 . . . . 0.0 110.665 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -95.79 -48.14 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 123.79 0.836 . . . . 0.0 110.173 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.66 3.06 2.69 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.21 67.62 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.699 0.8 . . . . 0.0 112.349 169.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.05 25.83 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.54 -175.57 5.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.584 1.192 . . . . 0.0 111.622 -169.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -119.71 -28.27 5.29 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.376 0.67 . . . . 0.0 112.102 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.0 123.56 23.61 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 123.845 0.858 . . . . 0.0 110.111 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -57.7 141.93 95.72 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.194 2.596 . . . . 0.0 113.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 125.777 1.631 . . . . 0.0 113.411 173.6 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.227 3.027 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.56 3.36 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 112.439 4.239 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 111.849 3.649 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.703 3.503 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C5'-C4'-O4' 114.566 3.833 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 O4'-C1'-N19 112.329 4.129 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C3'-C2'-C1' 104.218 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O5'-C5'-C4' 113.433 2.309 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 0 C3'-C2'-C1' 104.755 3.617 . 0.198 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C3'-C2'-C1' 103.713 2.459 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 110.939 -3.041 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C4'-C3'-C2' 100.349 -2.351 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.74 3.54 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 N19-C1'-C2' 109.007 -2.746 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 O4'-C1'-N19 112.423 4.223 . 0.063 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C4'-C3'-C2' 100.456 -2.244 OUTLIER-DELTA 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 2 O4'-C1'-N19 113.393 5.193 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 O4'-C1'-N19 112.522 4.322 . 0.344 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 112.655 4.455 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.064 -2.636 . 0.415 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.597 4.397 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 112.185 3.985 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 N19-C1'-C2' 108.443 -3.098 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.404 3.204 . 0.43 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.535 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 N19-C1'-C2' 116.465 1.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.52 0 C5'-C4'-C3' 111.99 -2.34 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.437 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C5'-C4'-C3' 111.159 -2.894 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 0 O5'-C5'-C4' 105.816 -3.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C4'-C3'-C2' 99.569 -3.131 . 0.018 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.166 2.966 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 1 O4'-C1'-N19 112.204 4.004 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 99.207 -3.493 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.562 -3.138 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.147 3.947 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 114.815 6.615 . 0.184 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.474 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.054 2.854 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.474 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C3'-C2'-C1' 103.808 2.565 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 113.301 5.101 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C5'-C4'-C3' 109.84 -3.774 . 0.033 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 1 O4'-C1'-N19 112.348 4.148 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C3'-C2'-C1' 105.039 3.932 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.423 4.223 . 0.284 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 O4'-C1'-N19 112.455 4.255 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C4'-C3'-C2' 99.896 -2.804 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . 0.415 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 O4'-C1'-N19 112.356 4.156 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 O4'-C1'-N19 111.723 3.523 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.468 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.991 2.791 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 111.299 3.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 0 C3'-C2'-C1' 103.782 2.536 . 0.422 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 O5'-C5'-C4' 117.285 5.061 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 111.57 -2.62 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 1 O4'-C1'-N19 112.426 4.226 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C4'-C3'-C2' 100.082 -2.618 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.369 3.169 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.917 4.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.811 4.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 111.633 3.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.253 3.053 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.908 3.708 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.431 3.231 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.443 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 104.89 3.767 . 0.511 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.443 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.435 -3.265 . 0.11 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O5'-C5'-C4' 113.423 2.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . 0.601 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 C3'-C2'-C1' 106.371 5.412 . 0.391 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.601 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.675 1 O5'-C5'-C4' 121.064 7.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.514 " H5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C4'-C3'-C2' 99.287 -3.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 111.212 -2.859 . 0.935 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 112.01 3.81 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.212 3.012 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 111.874 3.674 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 109.73 22.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.929 . . . . 0.0 108.934 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.34 133.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 108.949 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.7 mt -131.57 158.82 39.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.507 1.123 . . . . 0.0 109.688 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -122.2 101.02 7.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -95.96 167.4 11.26 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.042 0.537 . . . . 0.0 110.552 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -129.87 156.61 44.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -50.11 122.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 122.664 0.386 . . . . 0.0 110.933 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.27 60.47 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.698 1.142 . . . . 0.0 114.437 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -93.28 167.66 11.6 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.866 1.333 . . . . 0.0 112.107 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -140.37 158.88 43.34 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -124.33 156.37 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 126.66 1.984 . . . . 0.0 108.136 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -125.19 134.01 52.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.797 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -124.02 132.12 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.37 1.068 . . . . 0.0 109.111 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.29 -128.92 33.97 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -125.08 -2.92 7.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.921 0.888 . . . . 0.0 112.496 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.59 -19.77 1.84 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.1 142.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 118.547 0.612 . . . . 0.0 111.101 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -134.14 143.13 47.76 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.365 1.066 . . . . 0.0 109.826 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -125.71 141.74 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.026 1.33 . . . . 0.0 108.221 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -139.49 137.94 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.576 0.626 . . . . 0.0 110.505 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.65 99.69 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -27.07 60.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.804 -0.56 . . . . 0.0 110.58 -175.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.72 -170.5 42.35 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 118.001 0.364 . . . . 0.0 113.833 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.91 156.28 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.033 0.933 . . . . 0.0 111.478 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -140.94 68.57 1.34 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.704 1.201 . . . . 0.0 109.726 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.7 -117.08 5.62 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -83.83 -3.0 57.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.207 0.603 . . . . 0.0 111.985 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -99.72 160.85 13.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.849 0.833 . . . . 0.0 112.723 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -141.28 128.67 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 126.09 1.756 . . . . 0.0 108.403 -170.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -104.09 102.0 11.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.213 1.005 . . . . 0.0 110.111 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.76 131.7 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.0 109.406 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.96 140.2 15.05 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 123.975 0.798 . . . . 0.0 111.62 170.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -116.41 132.38 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.688 1.595 . . . . 0.0 107.9 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -125.31 74.93 1.42 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.169 0.985 . . . . 0.0 109.404 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.31 154.13 39.17 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.925 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -71.93 154.64 58.16 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.486 2.124 . . . . 0.0 110.251 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -69.48 -2.48 11.34 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.65 -25.39 64.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 111.757 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -116.33 143.97 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.869 0.842 . . . . 0.0 111.778 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 142.98 32.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.056 0.942 . . . . 0.0 110.799 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.34 128.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.539 0.336 . . . . 0.0 110.343 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.427 ' CD2' HD11 ' A' ' 51' ' ' ILE . 90.0 m-70 -151.38 -176.0 5.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.523 1.129 . . . . 0.0 110.031 -169.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -130.18 167.15 18.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.18 -26.89 68.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.64 -27.33 67.71 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 112.627 171.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -113.78 -23.66 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.379 1.472 . . . . 0.0 110.829 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.35 -31.38 72.52 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.519 -0.738 . . . . 0.0 110.497 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -75.53 -13.85 60.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.688 0.795 . . . . 0.0 111.456 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.46 -32.36 37.2 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.616 1.166 . . . . 0.0 110.642 169.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 HD11 ' CD2' ' A' ' 43' ' ' HIS . 23.0 mt -64.84 -53.2 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.695 0.798 . . . . 0.0 108.986 172.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -84.12 5.27 26.79 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.144 0.578 . . . . 0.0 112.302 -173.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.08 72.34 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.135 0.574 . . . . 0.0 111.445 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.24 19.46 0.02 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.522 0.582 . . . . 0.0 113.519 172.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.7 94.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 t 104.43 155.77 0.01 OUTLIER 'General case' 0 C--O 1.23 0.075 0 C-N-CA 129.267 3.027 . . . . 0.0 111.848 -168.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.21 155.18 82.27 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 124.249 1.02 . . . . 0.0 111.902 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -71.47 165.75 31.5 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.023 2.482 . . . . 0.0 112.683 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 124.881 1.272 . . . . 0.0 111.731 -177.611 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.638 -0.22 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.2 122.56 44.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.505 1.522 . . . . 0.0 107.661 168.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -120.09 138.82 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 122.887 0.475 . . . . 0.0 111.504 -166.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -133.5 143.37 48.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.576 1.151 . . . . 0.0 110.191 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.7 m -119.74 104.97 10.7 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -130.12 162.49 28.71 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.435 1.094 . . . . 0.0 110.654 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -94.45 167.26 11.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.09 137.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.19 -1.75 82.93 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.073 -0.848 . . . . 0.0 114.283 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.84 158.5 22.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.034 1.417 . . . . 0.0 112.188 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -125.28 142.64 51.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.412 1.085 . . . . 0.0 111.338 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.0 mt -135.63 153.79 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.321 1.448 . . . . 0.0 109.406 -169.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -138.57 144.56 39.89 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.469 -0.769 . . . . 0.0 112.901 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -135.42 128.35 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 124.345 1.058 . . . . 0.0 109.633 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 -139.32 48.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -121.69 4.97 10.04 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.914 0.886 . . . . 0.0 112.647 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -113.74 -22.77 10.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.49 137.04 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 118.97 0.805 . . . . 0.0 111.351 -169.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -132.47 150.54 52.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.882 1.273 . . . . 0.0 109.795 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -130.01 146.42 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 126.141 1.776 . . . . 0.0 107.978 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -140.17 129.09 23.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.055 -0.403 . . . . 0.0 109.956 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -81.61 104.84 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -30.12 59.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.943 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.76 -178.69 34.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 113.378 0.111 . . . . 0.0 113.378 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.85 150.94 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.184 0.594 . . . . 0.0 110.78 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.1 t -133.94 75.18 1.58 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.459 1.104 . . . . 0.0 108.589 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.31 -114.43 3.95 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.04 7.38 43.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.472 0.709 . . . . 0.0 110.946 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -99.03 156.02 17.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.171 0.988 . . . . 0.0 110.258 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.82 114.49 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.556 1.143 . . . . 0.0 108.977 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.42 122.04 31.47 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.41 1.084 . . . . 0.0 109.641 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.98 130.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.184 0.994 . . . . 0.0 109.945 -169.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 138.87 14.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 169.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -123.26 131.09 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.773 0.797 . . . . 0.0 109.058 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -132.23 79.23 1.85 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.765 -167.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.27 156.92 71.7 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 114.097 -1.411 . . . . 0.0 109.762 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.98 154.25 52.1 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.75 1.633 . . . . 0.0 109.766 168.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.21 -0.88 8.71 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.909 0.884 . . . . 0.0 111.562 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.75 -25.71 67.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.101 1.76 . . . . 0.0 111.102 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 m -108.46 144.16 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.371 1.068 . . . . 0.0 109.937 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.5 141.73 29.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.292 0.568 . . . . 0.0 111.183 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.82 94.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.094 -166.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.42 44.2 Favored 'General case' 0 CA--C 1.523 -0.071 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -65.21 158.31 26.49 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.028 0.531 . . . . 0.0 111.636 169.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -49.49 -45.22 46.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.8 0.84 . . . . 0.0 112.453 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.08 -47.92 53.4 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.011 0.524 . . . . 0.0 110.688 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -73.58 -49.3 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 125.031 1.332 . . . . 0.0 110.245 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -51.26 -37.41 47.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.534 1.134 . . . . 0.0 111.676 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -68.92 -26.18 64.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.58 0.752 . . . . 0.0 112.877 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -76.2 -44.09 39.39 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.041 0.837 . . . . 0.0 109.742 171.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.2 -38.32 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.235 0.614 . . . . 0.0 109.478 -173.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.48 0.34 38.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -76.88 -18.71 58.16 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.23 0.612 . . . . 0.0 111.651 169.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.9 50.61 0.1 Allowed Glycine 0 C--N 1.337 0.635 0 C-N-CA 123.597 0.618 . . . . 0.0 113.547 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.52 -176.78 2.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.515 0.657 . . . . 0.0 112.307 -168.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 52.7 p -130.95 -173.55 3.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.951 1.3 . . . . 0.0 109.518 168.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.55 122.95 3.62 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.799 0.84 . . . . 0.0 111.217 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -52.88 -41.5 70.23 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.994 3.129 . . . . 0.0 113.861 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 123.239 0.616 . . . . 0.0 110.677 -169.633 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpp . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 110.94 21.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.02 135.18 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.744 0.818 . . . . 0.0 109.846 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.46 134.97 50.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.969 0.908 . . . . 0.0 108.939 168.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -90.37 145.96 24.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.06 123.83 11.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.943 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.8 tptm -75.18 151.55 38.49 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m -58.24 137.91 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.439 -0.788 . . . . 0.0 112.057 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -5.1 84.88 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.932 1.253 . . . . 0.0 114.315 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -88.4 176.51 7.16 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.465 1.633 . . . . 0.0 112.075 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -133.24 160.59 36.84 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -141.28 156.47 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.193 2.197 . . . . 0.0 108.62 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -128.53 148.79 50.78 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.752 1.221 . . . . 0.0 111.929 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.22 138.22 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.897 1.279 . . . . 0.0 109.318 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.7 -136.2 50.05 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.21 10.04 8.04 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.257 1.023 . . . . 0.0 111.454 168.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.55 -16.72 6.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.729 1.211 . . . . 0.0 113.128 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.49 138.1 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.949 0.795 . . . . 0.0 111.411 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 18.5 m -126.09 144.24 50.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.827 1.251 . . . . 0.0 109.513 173.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -124.53 140.55 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.012 1.325 . . . . 0.0 108.471 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -135.06 128.61 32.6 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.685 0.394 . . . . 0.0 110.565 -176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.73 114.81 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.475 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.6 mt -88.57 -38.79 14.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.943 -0.473 . . . . 0.0 109.853 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.0 -174.84 43.54 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.335 -0.459 . . . . 0.0 114.215 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.4 151.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.445 0.698 . . . . 0.0 111.68 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -144.63 107.97 4.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 109.082 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -96.5 -7.1 35.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.416 ' HG3' ' HE2' ' D' ' 7' ' ' LYS . 19.9 mt-30 -79.98 155.01 27.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.966 0.889 . . . . 0.0 111.678 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -139.93 115.62 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -79.7 112.26 16.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 mt -117.66 128.03 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.964 1.306 . . . . 0.0 109.893 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.55 143.58 16.8 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.292 0.948 . . . . 0.0 112.403 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -129.98 122.24 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 125.109 1.363 . . . . 0.0 108.521 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -121.55 98.1 5.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.232 0.613 . . . . 0.0 109.981 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.77 157.05 79.25 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.431 1.092 . . . . 0.0 109.821 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -62.82 151.8 82.16 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.377 2.051 . . . . 0.0 110.827 170.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.6 -1.05 4.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 172.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.94 -19.96 66.04 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.804 1.241 . . . . 0.0 111.443 168.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.82 148.78 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.118 0.967 . . . . 0.0 110.74 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.51 156.94 19.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.768 0.427 . . . . 0.0 111.415 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.56 134.96 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.366 0.666 . . . . 0.0 109.324 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -154.64 162.98 40.89 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 123.326 0.65 . . . . 0.0 111.458 -174.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -72.9 154.52 40.54 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 165.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.86 -30.05 71.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.101 0.864 . . . . 0.0 111.669 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.93 -24.82 63.42 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.2 -36.4 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.628 0.771 . . . . 0.0 110.369 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -54.31 -37.82 65.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.414 1.086 . . . . 0.0 112.068 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.62 -22.34 66.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.299 0.64 . . . . 0.0 112.607 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -72.6 -40.76 66.28 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.756 171.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.86 -21.42 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -94.82 2.2 55.45 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.578 1.151 . . . . 0.0 113.153 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.01 4.11 3.77 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.67 25.1 5.84 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.91 0.767 . . . . 0.0 112.838 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.91 -23.06 66.55 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.706 0.753 . . . . 0.0 112.193 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 28.1 p -79.85 -12.94 59.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.296 1.038 . . . . 0.0 112.826 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.33 81.37 12.5 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 123.852 0.861 . . . . 0.0 110.669 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.15 170.03 5.49 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.477 2.785 . . . . 0.0 113.127 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.456 -0.152 0 C-N-CA 124.374 1.07 . . . . 0.0 112.467 177.847 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.468 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.8 ttp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.803 -0.073 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.01 116.36 31.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.585 1.554 . . . . 0.0 108.746 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -103.14 131.08 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.965 1.306 . . . . 0.0 108.845 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 41.2 mt -115.92 172.89 6.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.905 1.282 . . . . 0.0 110.01 172.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -132.23 109.82 10.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.683 169.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -121.81 137.94 54.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.835 1.654 . . . . 0.0 109.167 -169.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' HG3' ' C' ' 29' ' ' GLN . 18.7 ptpt -101.11 163.67 12.17 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 120.454 1.479 . . . . 0.0 113.717 172.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.41 137.28 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.613 -169.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.54 86.94 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.525 1.059 . . . . 0.0 114.121 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -87.99 175.97 7.53 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.87 1.335 . . . . 0.0 111.864 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -136.34 163.27 30.82 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -150.96 159.42 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 127.99 2.516 . . . . 0.0 108.398 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -138.62 153.0 48.6 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.035 0.934 . . . . 0.0 112.635 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -133.66 139.14 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.889 1.275 . . . . 0.0 108.988 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.32 -134.54 52.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.53 9.97 5.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.348 1.059 . . . . 0.0 112.451 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.03 -13.16 5.17 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.21 137.44 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.019 0.827 . . . . 0.0 110.965 -169.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -121.7 145.49 47.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.645 1.178 . . . . 0.0 109.755 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -129.12 139.68 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 108.203 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -137.34 130.75 31.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.755 0.422 . . . . 0.0 110.003 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.97 87.62 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.0 -29.25 69.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.801 -0.562 . . . . 0.0 112.02 -168.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.5 40.04 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 118.168 0.44 . . . . 0.0 113.764 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.18 159.14 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.332 0.653 . . . . 0.0 110.902 169.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -144.83 76.04 1.48 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.874 0.87 . . . . 0.0 109.035 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.33 -116.78 4.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.4 mp0 -91.93 -9.3 43.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.505 172.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.58 157.4 35.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 121.584 0.706 . . . . 0.0 111.706 169.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -134.81 125.08 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 114.196 -1.365 . . . . 0.0 108.462 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -81.47 114.65 20.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 168.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -116.17 122.45 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 123.655 0.782 . . . . 0.0 108.938 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.1 131.15 10.5 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.68 139.99 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.999 0.92 . . . . 0.0 108.812 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.11 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.657 0.783 . . . . 0.0 109.154 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.46 157.81 55.34 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 124.823 1.249 . . . . 0.0 109.64 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.31 151.06 84.68 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.013 1.808 . . . . 0.0 110.513 169.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.39 -1.0 7.23 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.09 -23.17 66.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.744 1.218 . . . . 0.0 111.534 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.12 159.67 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.167 0.987 . . . . 0.0 110.902 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.11 157.08 16.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.485 0.714 . . . . 0.0 112.251 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.84 125.28 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 168.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -148.58 165.37 31.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.332 0.653 . . . . 0.0 111.616 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -65.58 157.93 28.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.107 0.563 . . . . 0.0 110.566 169.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.41 -40.49 96.68 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.37 -0.831 . . . . 0.0 111.7 -176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -70.4 -9.07 55.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.739 HD12 ' C2 ' ' G' ' 7' ' ' ' C' . 26.6 mm -102.02 -44.76 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.588 1.155 . . . . 0.0 110.799 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -45.36 -37.72 5.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.446 1.898 . . . . 0.0 112.658 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -57.89 -21.03 41.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.857 1.263 . . . . 0.0 113.68 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -50.58 10.74 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 119.053 0.842 . . . . 0.0 110.544 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.508 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.7 mp -66.58 -18.97 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.232 1.413 . . . . 0.0 111.852 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -95.46 -6.96 39.55 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -54.64 2.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.746 0.818 . . . . 0.0 113.035 -174.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.53 -3.61 0.11 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.644 0.64 . . . . 0.0 114.183 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 77.6 144.26 0.08 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.556 2.343 . . . . 0.0 113.571 166.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 87.7 m -140.81 145.6 36.5 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.88 1.272 . . . . 0.0 109.188 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.89 79.27 0.35 Allowed Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.203 1.401 . . . . 0.0 112.391 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -66.22 -177.41 0.83 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.926 3.084 . . . . 0.0 114.668 -172.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 N--CA 1.456 -0.172 0 C-N-CA 125.194 1.398 . . . . 0.0 112.531 175.904 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -139.68 113.9 8.98 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.625 1.97 . . . . 0.0 106.876 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.84 142.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.323 1.049 . . . . 0.0 110.385 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -139.64 159.8 41.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.373 1.469 . . . . 0.0 110.871 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -127.48 106.2 9.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 165.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.431 ' HD3' HG13 ' E' ' 12' ' ' ILE . 2.8 mtp180 -104.94 162.24 13.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.233 1.813 . . . . 0.0 110.241 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -111.68 171.68 7.35 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 168.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.22 140.27 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.035 0.445 . . . . 0.0 112.136 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.94 -5.89 84.15 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.157 0.884 . . . . 0.0 114.793 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 10' ' ' GLU . . . . . 0.403 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.0 mm-40 -90.51 170.42 10.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.083 1.442 . . . . 0.0 112.799 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 67.1 m -131.53 151.67 51.38 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.795 0.838 . . . . 0.0 112.366 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.431 HG13 ' HD3' ' E' ' 6' ' ' ARG . 37.8 mt -131.32 151.74 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.876 2.07 . . . . 0.0 107.999 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.44 146.03 47.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.257 0.623 . . . . 0.0 111.152 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -133.18 133.38 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.587 1.155 . . . . 0.0 108.942 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -132.78 52.73 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.96 10.03 5.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.723 0.809 . . . . 0.0 112.65 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -125.11 -13.54 6.76 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.59 133.98 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.107 0.867 . . . . 0.0 110.873 -171.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -124.07 142.34 51.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.379 1.072 . . . . 0.0 109.97 173.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mm -121.88 134.83 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.695 1.198 . . . . 0.0 108.388 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 17.4 m -133.69 130.98 38.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.274 0.63 . . . . 0.0 110.245 -171.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -89.23 114.45 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 O-C-N 121.891 -0.506 . . . . 0.0 109.676 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.66 -32.36 31.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.559 0.344 . . . . 0.0 110.298 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.55 178.9 28.53 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.073 0.368 . . . . 0.0 113.696 168.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.91 153.81 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.57 0.748 . . . . 0.0 112.171 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -143.42 89.9 2.12 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.023 1.329 . . . . 0.0 108.581 169.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.49 -113.65 6.07 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.843 -0.536 . . . . 0.0 111.765 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.02 -21.42 21.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 117.576 0.688 . . . . 0.0 111.828 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -74.52 143.92 44.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 109.821 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.46 116.52 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -89.06 119.22 29.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.27 134.08 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.277 1.031 . . . . 0.0 110.177 -168.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.3 144.77 17.44 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.408 1.004 . . . . 0.0 111.883 171.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.97 123.81 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.009 1.324 . . . . 0.0 108.91 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -123.7 99.1 6.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.022 0.529 . . . . 0.0 109.613 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.0 76.55 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.331 1.052 . . . . 0.0 110.435 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.97 158.67 32.85 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.67 2.247 . . . . 0.0 111.904 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -68.5 -0.88 5.54 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.498 0.719 . . . . 0.0 112.471 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.98 -25.31 67.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.176 1.39 . . . . 0.0 111.761 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.42 156.1 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.117 0.967 . . . . 0.0 110.879 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.73 156.36 19.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.53 171.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.51 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.868 0.467 . . . . 0.0 110.561 169.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -154.52 168.64 26.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.168 0.987 . . . . 0.0 110.876 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -67.51 161.76 24.79 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.951 -0.468 . . . . 0.0 109.753 167.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.0 -40.92 77.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.348 1.059 . . . . 0.0 111.505 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -91.1 -35.99 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.992 0.917 . . . . 0.0 110.181 -173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -50.22 -36.02 29.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.009 1.323 . . . . 0.0 112.821 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -58.22 -22.02 50.25 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.302 1.041 . . . . 0.0 112.517 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -75.96 -49.71 16.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.414 0.686 . . . . 0.0 109.668 175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.49 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.4 mp -62.41 -23.1 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.042 1.337 . . . . 0.0 110.852 -177.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -85.24 -43.26 13.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 169.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.64 -30.76 9.76 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.42 -18.72 1.6 Allowed Glycine 0 CA--C 1.526 0.719 0 C-N-CA 124.077 0.846 . . . . 0.0 113.039 -169.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.92 -170.69 0.14 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.933 2.493 . . . . 0.0 112.525 169.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -81.69 -15.53 54.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 129.11 12.61 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.454 1.102 . . . . 0.0 110.026 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -66.86 -179.27 1.6 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.988 2.458 . . . . 0.0 114.05 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t0 . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 124.477 1.111 . . . . 0.0 112.509 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.836 -0.061 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.33 149.82 21.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.713 0.405 . . . . 0.0 111.385 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.47 134.84 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.848 0.859 . . . . 0.0 108.691 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.09 164.98 23.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.366 1.467 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.39 101.08 6.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -106.16 133.72 50.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.13 1.372 . . . . 0.0 111.14 -176.174 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -94.89 164.69 12.81 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.319 0.963 . . . . 0.0 113.311 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.36 135.04 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.285 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.96 -6.4 69.42 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.438 1.018 . . . . 0.0 114.113 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -99.94 162.79 12.77 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.953 1.377 . . . . 0.0 111.792 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 44.9 m -128.85 156.21 44.0 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -136.69 159.18 37.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 127.056 2.143 . . . . 0.0 108.131 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.43 148.03 51.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.869 0.868 . . . . 0.0 111.884 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -136.5 139.02 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.452 1.101 . . . . 0.0 109.279 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.35 -138.25 48.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -120.56 10.04 11.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.858 0.863 . . . . 0.0 111.849 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.66 -17.95 1.45 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.53 137.7 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.063 0.847 . . . . 0.0 110.645 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -128.47 141.6 51.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.251 1.021 . . . . 0.0 109.994 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.03 141.76 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.599 1.56 . . . . 0.0 108.156 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 60.3 m -137.51 130.41 30.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.943 0.497 . . . . 0.0 110.31 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.07 109.9 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 23' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' F' ' 31' ' ' ARG . 27.4 mt -82.41 -27.94 31.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.535 0.734 . . . . 0.0 111.175 -172.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.93 -173.14 35.19 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.07 0.367 . . . . 0.0 113.468 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.99 157.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.457 0.703 . . . . 0.0 112.394 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -150.04 90.08 1.65 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.15 1.38 . . . . 0.0 109.404 168.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.28 -103.33 1.69 Allowed Glycine 0 CA--C 1.525 0.659 0 O-C-N 121.841 -0.537 . . . . 0.0 111.767 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -99.03 -16.32 18.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 117.903 0.851 . . . . 0.0 110.936 168.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -70.57 143.74 51.47 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.529 0.681 . . . . 0.0 109.499 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 63.1 t -141.1 105.94 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 31' ' ' ARG . . . . . 0.432 ' HG2' HD12 ' F' ' 23' ' ' LEU . 30.2 ttm180 -84.95 127.11 34.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -133.24 138.45 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.758 0.823 . . . . 0.0 110.117 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.89 138.28 14.77 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.34 144.93 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.255 1.022 . . . . 0.0 109.297 172.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -133.75 108.77 8.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.044 0.938 . . . . 0.0 108.945 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.38 158.46 74.47 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.017 0.927 . . . . 0.0 111.182 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.87 159.67 40.86 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.718 2.279 . . . . 0.0 111.977 172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.08 -17.13 23.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.359 1.063 . . . . 0.0 113.305 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -10.49 59.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.178 1.391 . . . . 0.0 112.271 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -128.74 163.15 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.039 0.935 . . . . 0.0 110.795 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.552 0.741 . . . . 0.0 111.32 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.89 122.32 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.14 0.576 . . . . 0.0 110.722 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -151.29 172.5 15.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.079 0.952 . . . . 0.0 110.651 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.56 154.19 42.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.55 -25.36 67.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.082 0.553 . . . . 0.0 111.899 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -56.56 -46.86 80.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.476 1.11 . . . . 0.0 111.485 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.83 -33.02 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.014 0.925 . . . . 0.0 110.282 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -52.78 -36.13 57.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.374 1.069 . . . . 0.0 112.333 176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -66.89 -28.06 68.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.344 0.657 . . . . 0.0 112.569 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -75.07 -22.94 58.02 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.273 0.629 . . . . 0.0 111.192 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -96.45 -34.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.15 1.38 . . . . 0.0 110.017 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -81.4 3.12 25.6 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.663 0.785 . . . . 0.0 113.062 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.52 -12.68 23.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.19 38.56 0.2 Allowed Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.502 -0.61 . . . . 0.0 113.45 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.06 -40.83 0.09 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -168.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 45.87 43.25 9.92 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.77 131.23 5.76 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.042 0.937 . . . . 0.0 110.142 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -63.89 176.76 2.21 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.804 2.336 . . . . 0.0 113.673 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.47 1.108 . . . . 0.0 112.578 178.101 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 O4'-C1'-N19 111.483 3.283 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 111.238 3.038 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 O4'-C1'-N19 112.649 4.449 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 111.995 3.795 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.761 3.561 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C4'-C3'-C2' 99.59 -3.11 . 0.151 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.739 ' C2 ' HD12 ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 104.313 3.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O5'-C5'-C4' 113.374 2.267 . 0.058 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 1 C5'-C4'-C3' 109.186 -4.21 . 0.154 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.321 3.121 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.4 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 110.069 -3.621 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 C4'-C3'-C2' 98.278 -4.422 . 0.091 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 99.924 -2.776 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.654 3.454 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 110.903 2.703 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 100.209 -2.491 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 O4'-C1'-N19 112.016 3.816 . 0.298 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 2 O4'-C1'-N19 113.006 4.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 112.197 3.997 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 112.312 4.112 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-O4' 112.767 2.548 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.594 4.394 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 O4'-C1'-N19 112.247 4.047 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 N19-C1'-C2' 109.52 -2.425 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.313 3.113 . 0.522 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C5'-C4'-C3' 111.367 -2.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C3'-C2'-C1' 99.481 -2.243 . 0.123 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 111.958 -2.361 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 111.876 3.676 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C4'-C3'-C2' 99.854 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O4'-C1'-N19 111.196 2.996 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.356 4.156 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C4'-C3'-C2' 99.24 -3.46 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C4'-C3'-C2' 99.699 -3.001 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.138 3.938 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.512 2 O4'-C1'-N19 115.144 6.944 . 0.718 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 C5'-C4'-C3' 108.899 -4.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 103.706 2.451 . 0.414 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 1 O4'-C1'-N19 113.881 5.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 1 C5'-C4'-C3' 109.257 -4.162 . 0.049 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 2 O4'-C1'-N19 113.738 5.538 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.227 4.027 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.047 3.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.672 4.472 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.99 -2.71 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . 0.412 " H2'" " O4'" ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.39 4.19 OUTLIER-EPSILON 0.553 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . 0.412 " O4'" " H2'" ' G' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.397 1 P-O3'-C3' 125.744 5.036 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.456 ' N3 ' " H2'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 C3'-C2'-C1' 105.4 4.333 . 0.23 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C1'-N19 111.21 3.01 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C5'-C4'-C3' 111.052 -2.965 . 0.406 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 1 O5'-C5'-C4' 116.705 4.647 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 110.316 2.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 112.409 4.209 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C4'-C3'-C2' 99.962 -2.738 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.813 2.613 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O4'-C1'-N19 112.13 3.93 . 0.66 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 113.472 5.272 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 112.117 3.917 . 0.0 OUTLIER '7D dist 2h' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.193 -3.507 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.219 4.019 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.69 3.49 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.409 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C5'-C4'-C3' 109.825 -3.783 . 0.166 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.409 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 99.093 -3.607 . 0.013 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 P-O3'-C3' 122.702 2.502 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C5'-C4'-C3' 110.949 -3.034 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.475 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 C3'-C2'-C1' 96.992 -5.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-C3' 110.019 -3.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-C3' 111.783 -2.478 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 112.116 3.916 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.3 3.1 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 O4'-C1'-N19 112.296 4.096 . 0.143 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 110.73 23.02 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.685 0.794 . . . . 0.0 109.454 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.68 135.66 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.575 0.75 . . . . 0.0 109.246 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.83 152.03 51.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.503 1.121 . . . . 0.0 109.635 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -113.48 100.94 8.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 135.14 54.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.561 0.744 . . . . 0.0 110.451 -168.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.58 154.08 18.86 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 24' ' ' GLY . 40.3 t -48.4 125.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.148 0.579 . . . . 0.0 111.005 -177.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.98 -2.87 61.96 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 114.36 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -100.44 170.2 8.57 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.825 1.312 . . . . 0.0 111.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -136.21 150.4 48.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.4 mm -109.06 154.11 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 125.571 1.548 . . . . 0.0 109.53 169.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -126.18 137.2 53.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.641 1.176 . . . . 0.0 109.967 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mt -131.64 131.26 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.861 0.864 . . . . 0.0 109.648 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.35 -126.42 28.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -129.99 -0.82 4.7 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.128 0.971 . . . . 0.0 111.922 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -137.98 -9.16 1.57 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -168.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -113.9 142.27 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.831 0.852 . . . . 0.0 110.443 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m -140.84 150.42 43.26 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.967 0.907 . . . . 0.0 109.168 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -132.48 143.21 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.733 1.213 . . . . 0.0 108.371 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 m -137.97 132.85 32.93 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.636 0.653 . . . . 0.0 110.823 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.4 tp -84.2 96.62 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 169.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.85 -28.9 66.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 122.016 -0.428 . . . . 0.0 110.404 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.08 -167.97 41.0 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.309 0.481 . . . . 0.0 113.382 170.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.64 148.42 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.628 0.771 . . . . 0.0 111.133 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -140.72 61.08 1.51 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.819 1.247 . . . . 0.0 110.216 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.43 -122.05 6.3 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -76.27 -10.52 59.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.224 0.609 . . . . 0.0 111.441 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -98.96 158.1 15.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.52 0.676 . . . . 0.0 111.771 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -139.81 135.99 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.536 1.534 . . . . 0.0 109.188 -169.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.1 101.91 10.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.987 0.915 . . . . 0.0 109.558 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -121.02 136.3 58.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.087 0 C-N-CA 123.729 0.812 . . . . 0.0 111.116 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.39 146.4 18.17 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.584 1.088 . . . . 0.0 112.206 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -112.93 137.98 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.801 1.64 . . . . 0.0 108.427 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -124.04 74.99 1.33 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.721 1.208 . . . . 0.0 109.416 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.51 154.18 45.59 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.69 174.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.67 157.9 43.82 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.64 2.227 . . . . 0.0 110.741 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -68.67 -1.59 7.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.99 -30.95 71.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.792 0.837 . . . . 0.0 111.495 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.98 143.87 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.845 0.831 . . . . 0.0 111.513 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 141.98 28.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.926 0.89 . . . . 0.0 110.563 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 m -133.61 123.83 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.73 0.412 . . . . 0.0 109.982 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -152.21 159.34 43.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.791 0.436 . . . . 0.0 111.429 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' B' ' 12' ' ' ILE . 3.3 ptm85 -79.64 152.65 29.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.525 0.73 . . . . 0.0 112.295 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.23 -39.18 91.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.36 0.93 15.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.03 -26.03 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 125.12 1.368 . . . . 0.0 111.175 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.501 -0.75 . . . . 0.0 110.43 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -74.14 -12.94 60.74 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.575 0.75 . . . . 0.0 111.845 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -80.26 -33.69 37.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.295 1.038 . . . . 0.0 110.855 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.56 -53.48 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.063 0.945 . . . . 0.0 108.631 173.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -83.91 5.29 25.93 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.0 -21.6 59.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.872 0.469 . . . . 0.0 111.387 168.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.02 6.36 0.21 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.513 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 56' ' ' THR . 8.1 mt -88.24 90.6 8.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 55' ' ' LEU . 12.3 p 141.06 133.23 0.0 OUTLIER 'General case' 0 C--N 1.337 0.05 0 C-N-CA 129.762 3.225 . . . . 0.0 109.233 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.1 152.2 47.48 Favored Pre-proline 0 N--CA 1.455 -0.201 0 C-N-CA 123.233 0.613 . . . . 0.0 110.698 167.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -75.9 162.99 34.1 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 123.077 2.518 . . . . 0.0 111.86 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 124.652 1.181 . . . . 0.0 111.592 -178.849 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 tpp . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.97 119.86 39.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 168.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.422 HD11 " H5'" ' G' ' 52' ' ' ' A' . 52.0 mt -119.19 142.72 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.78 0.432 . . . . 0.0 111.994 -166.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.47 149.51 52.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.598 1.159 . . . . 0.0 110.468 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.1 m -112.09 103.72 11.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 169.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -110.26 173.0 6.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.741 0.817 . . . . 0.0 109.933 -171.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -118.76 163.32 17.04 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.598 0.359 . . . . 0.0 111.754 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.21 125.13 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.567 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.29 -6.25 55.85 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.84 -0.978 . . . . 0.0 115.211 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.27 155.48 36.65 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 119.548 1.674 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -131.25 146.58 52.37 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.309 1.044 . . . . 0.0 111.324 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.4 mm -135.27 154.26 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 126.563 1.945 . . . . 0.0 109.137 -173.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -127.87 144.85 51.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.446 1.099 . . . . 0.0 110.997 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.37 129.35 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.501 1.121 . . . . 0.0 109.357 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -134.34 52.46 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.01 5.07 6.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.772 0.829 . . . . 0.0 112.835 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -115.23 -20.09 10.52 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.25 137.25 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 119.024 0.829 . . . . 0.0 111.286 -169.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -133.33 149.45 51.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.864 1.265 . . . . 0.0 109.932 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.16 144.49 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.273 1.829 . . . . 0.0 108.001 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -141.04 134.06 29.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.906 0.482 . . . . 0.0 110.516 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.75 116.76 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 169.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -84.29 -32.96 24.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.081 -0.387 . . . . 0.0 111.037 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.3 35.79 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 122.58 0.134 . . . . 0.0 112.91 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -109.97 148.81 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.195 0.521 . . . . 0.0 110.74 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -130.29 73.28 1.52 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.936 1.294 . . . . 0.0 108.582 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.67 -113.15 3.67 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.44 13.73 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.249 0.547 . . . . 0.0 111.678 170.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -99.0 156.09 17.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.308 1.043 . . . . 0.0 109.199 168.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -137.79 118.95 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.08 118.32 27.57 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.487 1.115 . . . . 0.0 109.712 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.09 136.45 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.559 1.143 . . . . 0.0 109.877 -169.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.28 141.22 15.18 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 123.758 0.694 . . . . 0.0 111.859 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -124.17 132.98 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 109.447 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 75.92 1.65 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.807 -168.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.01 158.14 53.29 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.525 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.79 155.67 47.66 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.761 1.641 . . . . 0.0 109.877 168.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -0.83 8.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 122.043 0.925 . . . . 0.0 112.094 173.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.83 -22.99 66.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.991 1.716 . . . . 0.0 110.897 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.32 144.09 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.64 1.176 . . . . 0.0 109.753 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.01 140.96 29.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.342 0.592 . . . . 0.0 111.253 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 t -142.51 98.36 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.254 -166.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 158.63 44.29 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.793 0.437 . . . . 0.0 111.978 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 33.0 ptt-85 -64.66 157.57 26.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.23 0.612 . . . . 0.0 111.434 169.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -55.67 -40.92 72.93 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.224 0.61 . . . . 0.0 112.633 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.77 -19.57 65.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -89.96 -49.44 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.325 0.65 . . . . 0.0 110.51 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.51 -42.01 22.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.618 0.767 . . . . 0.0 111.024 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.33 -10.18 56.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -91.97 -28.81 16.99 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 119.309 0.958 . . . . 0.0 112.49 169.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.81 -62.05 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.696 0.798 . . . . 0.0 112.698 -166.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.59 1.57 1.2 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.09 -19.17 60.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.325 170.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.0 29.07 0.05 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.054 -0.859 . . . . 0.0 115.101 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -168.97 -172.95 1.68 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.524 1.162 . . . . 0.0 112.847 -167.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 22.1 p -130.45 -171.74 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.86 1.264 . . . . 0.0 108.902 167.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.07 125.61 2.06 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 112.042 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.36 -175.31 0.52 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.072 2.514 . . . . 0.0 113.099 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.097 0.959 . . . . 0.0 112.466 171.409 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 107.26 14.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 134.88 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.724 0.81 . . . . 0.0 109.521 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.55 134.97 48.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.022 0.929 . . . . 0.0 109.316 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.5 p -92.47 141.13 28.85 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.202 169.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -136.72 144.24 43.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.998 0.519 . . . . 0.0 110.209 171.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.4 tptm -82.28 156.88 24.08 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 167.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.01 134.12 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 O-C-N 121.582 -0.699 . . . . 0.0 111.527 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.78 81.0 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.543 1.068 . . . . 0.0 114.441 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -89.1 175.3 7.44 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.235 1.517 . . . . 0.0 112.495 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -135.06 157.79 46.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mt -139.75 159.24 27.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 127.814 2.446 . . . . 0.0 107.94 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.83 149.36 52.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.235 1.014 . . . . 0.0 112.298 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.82 141.99 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.639 1.176 . . . . 0.0 109.044 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.24 -136.72 50.72 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.808 0.718 . . . . 0.0 111.739 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -122.83 9.98 9.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.257 1.023 . . . . 0.0 111.274 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -132.25 -10.72 3.29 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.39 136.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 118.698 0.681 . . . . 0.0 110.921 -170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -124.57 138.52 54.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.577 1.151 . . . . 0.0 109.282 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.04 137.96 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.539 1.136 . . . . 0.0 108.384 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -132.23 130.94 41.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.671 0.389 . . . . 0.0 110.505 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -84.38 114.61 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 168.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.539 HD12 ' HG2' ' C' ' 31' ' ' ARG . 6.1 mt -89.02 -34.32 16.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -174.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.64 -179.47 39.95 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 113.668 0.227 . . . . 0.0 113.668 168.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.02 154.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.67 0.788 . . . . 0.0 110.259 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -149.0 104.63 3.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -127.51 26.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.05 -0.38 55.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.995 0.918 . . . . 0.0 112.352 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.04 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.61 0.764 . . . . 0.0 110.664 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -135.15 122.28 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.2 1.0 . . . . 0.0 108.653 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.539 ' HG2' HD12 ' C' ' 23' ' ' LEU . 18.8 ttm180 -81.44 114.47 20.2 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.84 131.78 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.63 1.172 . . . . 0.0 109.612 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.0 137.99 14.23 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.17 0.89 . . . . 0.0 112.41 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.18 113.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.676 1.19 . . . . 0.0 108.766 176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -102.89 93.47 5.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.308 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.87 71.09 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.797 0.839 . . . . 0.0 110.52 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -61.89 153.77 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.926 2.417 . . . . 0.0 111.439 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.07 -0.74 2.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.93 -28.45 68.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.849 0.86 . . . . 0.0 110.92 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -105.62 140.02 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.604 0.762 . . . . 0.0 110.286 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 154.98 21.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -139.7 123.57 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.56 169.46 21.47 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.406 HH11 HD22 ' D' ' 4' ' ' LEU . 79.1 mtm-85 -72.29 156.09 39.48 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.52 -35.78 74.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.696 0.68 . . . . 0.0 111.44 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.41 -23.82 62.82 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -92.1 -36.12 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.629 0.771 . . . . 0.0 110.393 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.16 -35.81 60.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.991 1.316 . . . . 0.0 112.372 -176.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -58.62 -30.02 66.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.883 0.873 . . . . 0.0 112.243 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.27 -37.44 80.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.621 0.769 . . . . 0.0 111.856 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.529 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.9 mp -69.43 -20.01 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 O-C-N 121.941 -0.474 . . . . 0.0 109.827 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -91.34 -2.95 57.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.411 0.684 . . . . 0.0 112.247 172.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.64 -22.89 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.536 1.134 . . . . 0.0 112.716 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.04 137.34 4.75 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? -110.72 169.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 110.731 -169.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 6.5 t -81.56 -16.28 52.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.55 135.82 25.79 Favored Pre-proline 0 N--CA 1.451 -0.388 0 C-N-CA 123.744 0.818 . . . . 0.0 110.587 173.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.93 -38.43 88.19 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.329 2.686 . . . . 0.0 112.883 171.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.453 -0.29 0 C-N-CA 124.375 1.07 . . . . 0.0 109.886 -170.668 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -106.29 112.24 25.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.48 1.112 . . . . 0.0 108.741 168.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.466 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -99.97 131.36 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.331 1.052 . . . . 0.0 109.128 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' LEU . . . . . 0.406 HD22 HH11 ' C' ' 44' ' ' ARG . 29.4 mt -117.99 171.76 7.86 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.564 1.145 . . . . 0.0 110.25 172.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 109.77 10.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.234 169.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -117.4 132.11 56.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.667 1.187 . . . . 0.0 109.362 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -75.77 155.48 35.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.012 0.824 . . . . 0.0 110.819 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.803 HG11 HG12 ' D' ' 25' ' ' VAL . 11.9 m -54.37 137.96 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.507 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.78 86.72 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.535 1.064 . . . . 0.0 114.072 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -94.3 178.98 5.45 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.982 1.391 . . . . 0.0 112.241 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 65.2 m -135.04 158.97 42.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 50.9 mt -143.36 161.5 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.998 2.519 . . . . 0.0 108.368 -173.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -140.31 152.56 45.95 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.865 0.866 . . . . 0.0 112.522 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -135.93 142.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.74 1.216 . . . . 0.0 109.295 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.29 -138.27 49.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -123.39 9.91 9.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.274 1.029 . . . . 0.0 111.286 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.65 -11.29 3.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.927 0.891 . . . . 0.0 113.37 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.66 137.5 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.758 0.708 . . . . 0.0 110.591 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -122.57 149.2 44.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.471 1.108 . . . . 0.0 109.859 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -132.53 140.3 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.463 1.505 . . . . 0.0 107.871 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.56 129.19 26.3 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.54 87.63 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.73 -32.23 73.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.737 -0.602 . . . . 0.0 111.43 -169.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.65 -167.99 40.34 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 120.674 -0.774 . . . . 0.0 114.19 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.803 HG12 HG11 ' D' ' 8' ' ' VAL . 10.2 p -139.57 134.36 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.963 1.305 . . . . 0.0 110.138 -170.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -144.26 100.56 3.56 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.976 0.91 . . . . 0.0 109.448 -171.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.2 -119.35 15.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -100.49 -3.36 30.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.594 0.757 . . . . 0.0 111.286 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.434 HE22 ' H41' ' G' ' 4' ' ' ' C' . 25.5 mt-30 -77.35 156.67 31.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.656 0.741 . . . . 0.0 112.026 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -136.19 125.06 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 114.381 -1.281 . . . . 0.0 108.376 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -83.14 114.26 21.2 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.114 0.566 . . . . 0.0 109.586 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -118.1 116.63 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.731 0.812 . . . . 0.0 109.389 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.79 135.47 12.87 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.089 0.852 . . . . 0.0 111.048 174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.87 138.82 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.015 0.926 . . . . 0.0 108.733 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.03 90.03 2.45 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.779 -0.576 . . . . 0.0 109.84 -173.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.79 157.92 55.9 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.413 1.085 . . . . 0.0 109.944 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 154.01 72.09 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.41 2.073 . . . . 0.0 110.905 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.53 -0.93 9.47 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.0 -20.91 66.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.337 1.055 . . . . 0.0 111.047 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -128.03 159.93 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.356 1.062 . . . . 0.0 110.862 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.49 157.1 16.67 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.448 0.699 . . . . 0.0 112.084 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.68 126.15 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 O-C-N 122.043 -0.411 . . . . 0.0 110.085 168.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -149.81 165.13 33.41 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.444 0.698 . . . . 0.0 111.824 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -62.51 157.81 19.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.898 0.479 . . . . 0.0 109.987 168.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -58.11 -38.01 75.67 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.748 0.419 . . . . 0.0 111.421 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.84 -19.8 64.27 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.869 0.868 . . . . 0.0 113.275 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mm -98.64 -41.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.424 1.09 . . . . 0.0 111.061 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -47.08 -39.51 13.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.6 1.56 . . . . 0.0 112.392 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -57.87 -21.0 40.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.706 1.202 . . . . 0.0 113.631 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -87.0 -44.35 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.904 0.881 . . . . 0.0 110.564 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.623 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.7 mp -67.7 -18.9 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.228 1.011 . . . . 0.0 111.242 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -98.85 -5.68 30.51 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.1 -48.7 3.02 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.79 -0.55 1.09 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.184 0.897 . . . . 0.0 113.201 -171.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 65.97 58.85 0.73 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.182 1.793 . . . . 0.0 111.927 166.12 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 50.4 p -70.67 -22.45 62.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.006 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.405 ' HB2' " H2'" ' G' ' 7' ' ' ' C' . . . -119.38 93.99 47.84 Favored Pre-proline 0 N--CA 1.45 -0.429 0 C-N-CA 124.508 1.123 . . . . 0.0 109.924 171.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.39 -171.72 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.807 3.005 . . . . 0.0 112.45 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.72 169.86 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ttt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tt -134.98 123.02 22.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 109.409 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.77 138.1 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.142 0.977 . . . . 0.0 109.742 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -132.39 164.32 26.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.613 1.565 . . . . 0.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -137.54 99.17 3.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 168.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -114.6 143.38 45.1 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.584 1.154 . . . . 0.0 112.616 -168.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -83.2 159.51 21.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.231 0.613 . . . . 0.0 111.48 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -59.95 136.31 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.365 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.35 85.14 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.289 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.31 165.36 14.45 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 119.034 1.417 . . . . 0.0 111.786 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -131.94 157.4 44.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.547 0.689 . . . . 0.0 112.352 -169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 35.2 mt -141.88 157.61 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 126.062 1.745 . . . . 0.0 108.113 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.88 148.76 44.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -137.51 139.31 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.915 1.286 . . . . 0.0 109.186 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.26 -134.79 48.37 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.33 9.95 6.73 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.032 0.933 . . . . 0.0 111.727 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.66 -5.59 1.97 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -170.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.84 135.76 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 118.908 0.776 . . . . 0.0 110.778 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -129.08 143.22 50.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.146 . . . . 0.0 109.971 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -123.02 142.15 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.53 1.532 . . . . 0.0 107.991 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -138.96 128.58 24.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.782 0.433 . . . . 0.0 110.216 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -76.74 112.5 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.3 -34.54 48.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.545 0.338 . . . . 0.0 110.357 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.55 -177.5 35.16 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.257 0.456 . . . . 0.0 113.199 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.55 157.83 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.372 0.669 . . . . 0.0 112.256 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.02 95.46 2.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.602 1.161 . . . . 0.0 109.078 169.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.75 -117.8 8.46 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.43 -21.05 22.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.35 0.575 . . . . 0.0 111.558 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.63 142.29 42.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.673 0.749 . . . . 0.0 110.75 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.84 115.25 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -172.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -87.98 122.25 31.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -129.45 130.69 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.871 0.869 . . . . 0.0 110.448 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 143.34 16.63 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.354 0.978 . . . . 0.0 111.83 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.6 mt -134.03 128.32 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.192 1.397 . . . . 0.0 108.834 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.9 100.8 5.81 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 155.3 74.7 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.493 1.117 . . . . 0.0 110.548 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.99 157.12 45.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.838 2.358 . . . . 0.0 112.031 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.98 -0.9 10.35 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.03 -23.46 66.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.53 1.132 . . . . 0.0 111.848 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -120.78 158.32 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.069 0.948 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 158.05 15.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.072 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.0 125.9 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.928 0.491 . . . . 0.0 110.201 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -150.45 168.55 23.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.379 1.072 . . . . 0.0 110.125 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -75.78 161.81 28.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.498 0.59 . . . . 0.0 109.581 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -61.59 -21.66 64.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.051 0.54 . . . . 0.0 112.195 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.53 -45.87 74.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.233 1.013 . . . . 0.0 111.455 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -29.67 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.636 0.775 . . . . 0.0 110.014 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -55.78 -38.45 69.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.926 -0.484 . . . . 0.0 111.983 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.82 -21.94 62.4 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -68.36 -29.43 68.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.648 0.658 . . . . 0.0 109.796 172.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.896 ' HA ' HD12 ' E' ' 55' ' ' LEU . 80.1 mt -91.28 -36.77 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.163 0.985 . . . . 0.0 110.77 -170.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 52' ' ' GLN . . . . . 0.462 ' NE2' HG22 ' E' ' 51' ' ' ILE . 30.1 mm-40 -75.85 2.98 10.93 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.754 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.16 -18.64 63.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.472 1.109 . . . . 0.0 111.361 167.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.69 58.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.745 0.688 . . . . 0.0 113.54 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.896 HD12 ' HA ' ' E' ' 51' ' ' ILE . 81.5 mt -127.12 -15.76 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -59.29 -26.83 65.31 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.439 0.563 . . . . 0.0 112.295 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.82 128.41 26.02 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.498 1.119 . . . . 0.0 108.93 168.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -57.12 147.45 75.52 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.923 2.416 . . . . 0.0 112.905 173.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 168.632 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.942 -0.075 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.57 150.02 20.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.093 -0.38 . . . . 0.0 111.511 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.84 134.27 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -126.56 163.22 23.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.079 . . . . 0.0 109.72 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.61 97.6 5.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 109.701 169.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.89 132.39 51.19 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.612 1.565 . . . . 0.0 109.404 -171.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -97.15 165.39 12.08 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 119.677 1.126 . . . . 0.0 112.927 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -56.09 136.2 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.504 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.1 80.35 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.314 0.959 . . . . 0.0 114.165 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -94.0 167.65 11.46 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.613 1.207 . . . . 0.0 111.697 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -131.6 157.19 44.3 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -169.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 47.8 mt -139.13 156.53 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.323 1.849 . . . . 0.0 108.256 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -128.64 149.29 50.72 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.614 0.766 . . . . 0.0 112.261 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -135.44 144.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.781 1.233 . . . . 0.0 109.045 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.51 -132.1 51.49 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -129.13 9.95 5.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.431 0.692 . . . . 0.0 111.837 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -136.22 -10.66 1.96 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -170.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.66 137.66 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.609 0.64 . . . . 0.0 110.345 -174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -125.98 141.45 51.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 110.004 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.1 140.01 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.357 1.463 . . . . 0.0 108.405 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -133.75 129.42 36.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.402 0.681 . . . . 0.0 109.912 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.89 108.45 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.67 -28.45 36.78 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.134 0.573 . . . . 0.0 111.129 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -176.31 32.81 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 123.53 0.586 . . . . 0.0 112.92 169.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.37 154.04 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.162 0.585 . . . . 0.0 111.816 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -147.24 90.0 1.84 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.816 1.246 . . . . 0.0 108.707 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.03 -126.39 34.0 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -79.43 -16.72 55.67 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -84.05 141.92 30.81 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.583 0.706 . . . . 0.0 110.446 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.6 t -128.73 119.78 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -87.0 126.91 35.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.468 0.707 . . . . 0.0 109.303 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -134.58 142.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 124.037 0.935 . . . . 0.0 110.162 -168.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.08 138.53 13.59 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.101 0.858 . . . . 0.0 111.189 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.4 mt -126.4 137.47 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.212 1.005 . . . . 0.0 109.259 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -133.53 105.59 6.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.576 0.75 . . . . 0.0 109.674 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.4 158.85 74.12 Favored Pre-proline 0 N--CA 1.454 -0.225 0 C-N-CA 124.19 0.996 . . . . 0.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.28 162.21 31.08 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.928 2.419 . . . . 0.0 112.131 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.81 -13.11 29.42 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.126 0.97 . . . . 0.0 112.464 169.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.98 -19.55 66.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.497 1.519 . . . . 0.0 112.309 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -130.67 160.56 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.15 0.98 . . . . 0.0 110.929 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.44 162.89 13.47 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.127 0.571 . . . . 0.0 111.244 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.05 125.91 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.529 0.732 . . . . 0.0 110.26 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -153.65 177.08 11.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.211 1.004 . . . . 0.0 110.244 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -80.85 163.97 23.02 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.731 -0.605 . . . . 0.0 110.178 169.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.49 -29.01 68.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.089 0.556 . . . . 0.0 112.46 -169.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.32 -53.58 56.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.451 0.701 . . . . 0.0 110.966 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -78.29 -31.62 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.361 0.664 . . . . 0.0 109.986 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -51.0 -37.44 45.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.258 1.023 . . . . 0.0 112.772 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.82 -21.87 61.46 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.992 0.917 . . . . 0.0 112.645 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.64 -47.17 49.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 118.633 0.652 . . . . 0.0 109.501 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.483 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.8 mp -67.24 -23.85 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.927 0.891 . . . . 0.0 110.564 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -85.28 -55.88 3.81 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 169.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.04 -5.61 15.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -166.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.96 59.7 0.32 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 108.559 -1.816 . . . . 0.0 108.559 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.667 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.4 OUTLIER -49.66 141.72 9.39 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.047 1.739 . . . . 0.0 113.67 -165.028 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -87.16 146.22 26.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.416 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.26 76.04 0.56 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 125.767 1.627 . . . . 0.0 113.303 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.37 176.17 1.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.64 2.893 . . . . 0.0 114.478 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t0 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 124.732 1.213 . . . . 0.0 112.63 178.631 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 O4'-C1'-N19 111.039 2.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C4'-C3'-C2' 99.146 -3.554 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 112.417 4.217 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.434 ' H41' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O4'-C1'-N19 111.798 3.598 . 0.299 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 O4'-C1'-N19 111.417 3.217 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 C5'-C4'-O4' 114.814 4.01 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.405 " H2'" ' HB2' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 110.13 -3.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 C3'-C2'-C1' 104.368 3.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 0 O5'-C5'-C4' 113.135 2.096 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C5'-C4'-C3' 110.101 -3.599 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 O5'-C5'-C4' 113.975 2.697 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.455 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-C3' 111.333 -2.778 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 C5'-C4'-C3' 108.124 -4.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C4'-C3'-C2' 100.274 -2.426 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.684 3.484 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 110.749 2.549 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.405 -4.064 . 0.595 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 1 O4'-C1'-N19 114.621 6.421 . 0.623 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 1 C1'-O4'-C4' 105.476 -4.583 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 1 O4'-C1'-N19 113.386 5.186 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 2 O4'-C1'-N19 112.569 4.369 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C5'-C4'-C3' 111.609 -2.594 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.54 4.34 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.195 3.995 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 N19-C1'-C2' 108.822 -2.861 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.003 2.803 . 0.594 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C5'-C4'-C3' 111.757 -2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C5'-C4'-C3' 111.929 -2.381 . 0.061 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.389 -2.74 OUTLIER-DELTA 0.014 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.04 -2.66 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.207 3.007 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.415 4.215 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.28 -3.42 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.492 -3.208 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.834 3.634 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 113.289 5.089 . 0.447 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.942 -2.372 . 0.241 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 C3'-C2'-C1' 103.302 2.002 . 0.286 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 O4'-C1'-N19 112.579 4.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 1 C5'-C4'-C3' 109.211 -4.193 . 0.039 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 1 O4'-C1'-N19 112.567 4.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 110.996 -3.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 111.942 3.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.602 4.402 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.608 -3.092 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-O4' 113.16 2.828 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 0 C3'-C2'-C1' 104.805 3.672 . 0.087 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C5'-C4'-C3' 111.608 -2.595 . 0.284 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.43 0 C5'-C4'-C3' 111.53 -2.647 . 0.457 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.422 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 O5'-C5'-C4' 117.294 5.067 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 111.814 -2.457 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.282 4.082 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.065 -2.635 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.588 3.388 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 110.854 -3.098 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 115.944 7.744 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.869 3.669 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.177 2.977 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.425 3.225 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.644 3.444 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C5'-C4'-C3' 111.468 -2.688 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 98.881 -3.819 . 0.012 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C3'-C2'-C1' 104.499 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C5'-C4'-C3' 109.531 -3.979 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 C5'-C4'-C3' 105.885 -6.41 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 P-O3'-C3' 125.455 4.796 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 N19-C1'-C2' 109.21 -2.619 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.213 4.013 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.355 3.155 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 1 O4'-C1'-N19 113.511 5.311 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.56 109.43 21.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.172 0.589 . . . . 0.0 109.816 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG21 ' HD3' ' B' ' 31' ' ' ARG . 2.0 mp -91.0 140.58 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.251 0.621 . . . . 0.0 110.124 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -133.3 147.78 51.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.864 0.866 . . . . 0.0 108.732 167.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -120.18 100.81 7.41 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 6' ' ' ARG . 18.4 mmm180 -125.95 153.66 43.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.297 0.57 . . . . 0.0 110.611 -169.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -105.03 159.82 15.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.415 1.086 . . . . 0.0 110.512 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' HA2' ' A' ' 24' ' ' GLY . 62.1 t -46.2 120.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 110.637 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.39 -4.22 56.81 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.528 1.061 . . . . 0.0 114.582 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -94.4 162.96 13.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 119.035 1.417 . . . . 0.0 112.146 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -132.13 147.77 52.45 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -168.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.7 mm -111.39 157.55 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 125.784 1.634 . . . . 0.0 110.055 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -134.37 140.14 46.11 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.951 0.901 . . . . 0.0 111.108 174.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 mt -140.08 125.29 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.555 1.142 . . . . 0.0 110.749 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.3 -121.64 23.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.869 1.107 . . . . 0.0 115.869 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.03 -3.74 46.68 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -165.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 152.48 5.65 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 128.148 2.579 . . . . 0.0 112.129 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.97 126.42 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 120.889 -1.132 . . . . 0.0 109.01 -172.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -118.93 133.08 56.06 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -112.93 143.92 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -136.14 133.13 36.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.187 0.595 . . . . 0.0 110.003 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.2 100.04 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.418 -1.326 . . . . 0.0 107.418 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -30.74 61.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.81 -0.556 . . . . 0.0 111.293 -169.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.73 -170.38 43.48 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.992 0.36 . . . . 0.0 113.593 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.39 146.94 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.927 0.891 . . . . 0.0 111.051 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 m -141.72 60.94 1.47 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.636 1.174 . . . . 0.0 110.412 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.6 -126.21 7.78 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -76.97 -14.71 59.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.272 0.629 . . . . 0.0 111.672 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -99.76 151.7 20.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.4 t -133.07 139.18 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 127.977 2.511 . . . . 0.0 108.15 -169.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -111.57 103.13 11.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.974 0.91 . . . . 0.0 110.41 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.93 137.97 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.427 1.091 . . . . 0.0 110.396 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.24 142.97 16.07 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.436 1.017 . . . . 0.0 112.014 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.04 136.35 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.669 1.588 . . . . 0.0 108.418 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.9 75.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.357 1.063 . . . . 0.0 109.271 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.14 152.38 39.72 Favored Pre-proline 0 N--CA 1.452 -0.328 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.58 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.99 152.27 68.07 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.404 2.069 . . . . 0.0 110.131 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.5 -4.84 16.45 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.62 -25.63 65.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.96 0.904 . . . . 0.0 112.091 169.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.49 144.1 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.015 0.912 . . . . 0.0 112.076 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.85 143.08 36.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.77 1.228 . . . . 0.0 111.61 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.07 117.38 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 123.451 0.701 . . . . 0.0 109.517 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 78.2 m-70 -150.31 158.49 44.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.7 ptm85 -80.87 152.85 27.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.782 0.833 . . . . 0.0 112.115 174.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.65 -33.34 75.4 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.493 0.717 . . . . 0.0 112.175 -174.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.35 -14.69 57.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.999 0.919 . . . . 0.0 112.977 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -22.75 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 125.222 1.409 . . . . 0.0 111.121 -173.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -63.07 -29.89 71.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.35 -0.844 . . . . 0.0 110.475 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -72.76 -14.84 61.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.815 0.846 . . . . 0.0 111.753 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -79.34 -31.69 43.12 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.378 1.071 . . . . 0.0 110.883 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.48 ' HA ' HD12 ' A' ' 55' ' ' LEU . 33.7 mt -68.03 -51.17 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.88 0.872 . . . . 0.0 109.216 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -84.07 5.21 26.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.249 0.619 . . . . 0.0 111.9 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.6 70.32 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.22 0.608 . . . . 0.0 111.343 168.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.51 18.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.621 0.629 . . . . 0.0 113.788 171.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 51' ' ' ILE . 13.7 mt -100.47 90.99 4.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.255 1.027 . . . . 0.0 108.708 -173.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t 115.19 127.85 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 129.836 3.254 . . . . 0.0 111.17 -169.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.12 157.76 44.34 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.643 1.177 . . . . 0.0 111.074 170.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -75.17 163.26 35.29 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.055 2.503 . . . . 0.0 112.229 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t0 . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 124.771 1.228 . . . . 0.0 111.638 178.301 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.71 119.46 39.19 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.209 1.404 . . . . 0.0 107.449 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.408 HD11 " H5'" ' G' ' 52' ' ' ' A' . 52.1 mt -116.51 138.55 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -166.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.12 135.89 47.89 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.632 1.173 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -106.26 110.25 22.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.417 ' HD2' HD11 ' B' ' 12' ' ' ILE . 16.6 mtm-85 -124.96 166.45 16.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.545 1.138 . . . . 0.0 110.691 -169.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -109.64 155.79 21.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.798 0.439 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.415 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.1 m -54.44 126.78 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.292 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.94 -13.45 45.38 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.03 -0.872 . . . . 0.0 115.145 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.88 154.35 38.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 119.395 1.597 . . . . 0.0 112.667 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -125.79 144.6 50.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.357 1.063 . . . . 0.0 111.499 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.417 HD11 ' HD2' ' B' ' 6' ' ' ARG . 46.5 mm -132.85 151.35 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 126.429 1.891 . . . . 0.0 108.86 -174.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -126.16 140.92 52.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.323 1.049 . . . . 0.0 110.663 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -131.71 132.32 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 123.982 0.913 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 -134.19 51.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -123.29 2.27 9.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.603 0.761 . . . . 0.0 112.064 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.75 -16.38 6.69 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.787 0.835 . . . . 0.0 113.202 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.35 136.24 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.74 0.7 . . . . 0.0 110.531 -172.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -130.54 149.34 52.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.481 1.112 . . . . 0.0 109.86 169.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -129.55 145.65 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.363 1.865 . . . . 0.0 107.81 -175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -140.58 130.12 24.08 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.765 0.426 . . . . 0.0 110.328 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.11 114.8 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 168.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.591 HD13 " H1'" ' G' ' 30' ' ' ' C' . 33.1 mt -87.35 -30.14 21.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.042 -0.411 . . . . 0.0 111.133 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 157.2 175.96 28.72 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-O 120.861 0.145 . . . . 0.0 112.874 170.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.11 153.55 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.344 0.592 . . . . 0.0 111.057 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -137.24 74.06 1.47 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.938 1.295 . . . . 0.0 108.506 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 -117.37 4.47 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.89 16.41 24.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.347 0.594 . . . . 0.0 111.243 169.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -98.92 157.51 16.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.74 1.216 . . . . 0.0 109.345 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -142.44 114.79 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.794 0.437 . . . . 0.0 110.108 -169.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.4 ' HD3' HG21 ' A' ' 3' ' ' ILE . 35.9 ttm180 -84.52 124.7 31.68 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.327 0.512 . . . . 0.0 110.738 174.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.75 130.42 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.282 1.433 . . . . 0.0 109.161 -173.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.39 15.51 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 123.611 0.624 . . . . 0.0 111.608 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.06 132.64 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 124.001 0.92 . . . . 0.0 109.05 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -133.06 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.473 -1.239 . . . . 0.0 109.297 -168.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.46 157.64 53.35 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.564 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.14 157.35 35.17 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.915 1.743 . . . . 0.0 111.311 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -68.41 -0.68 5.2 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.018 0.927 . . . . 0.0 112.199 169.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.91 -25.78 67.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.223 1.409 . . . . 0.0 111.359 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.71 144.13 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.443 1.097 . . . . 0.0 110.263 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.82 141.8 28.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.665 0.745 . . . . 0.0 111.373 169.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -141.88 98.85 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.755 -166.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.92 157.21 43.9 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.075 0.465 . . . . 0.0 111.695 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 22.7 ptt-85 -65.54 157.79 28.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.107 0.563 . . . . 0.0 111.732 171.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -55.62 -41.54 73.64 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 123.207 0.603 . . . . 0.0 112.148 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.67 -3.91 10.51 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.27 -51.27 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.586 1.154 . . . . 0.0 109.846 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -50.6 -36.74 36.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.325 1.45 . . . . 0.0 112.314 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.93 -22.95 64.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -174.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.23 -40.39 27.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 118.737 0.699 . . . . 0.0 110.501 171.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.82 -39.61 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -80.28 4.94 16.08 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.85 -17.97 45.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.237 0.615 . . . . 0.0 112.093 169.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.14 48.48 0.09 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-O 119.599 -0.556 . . . . 0.0 114.123 169.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.63 -177.36 3.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.68 0.74 . . . . 0.0 112.699 -168.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.479 HG22 ' H ' ' B' ' 57' ' ' ALA . 7.2 m -124.76 174.93 7.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.321 1.448 . . . . 0.0 108.635 168.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.479 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.95 119.41 0.68 Allowed Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 125.227 1.411 . . . . 0.0 111.849 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.9 Cg_exo -67.17 178.88 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.53 2.153 . . . . 0.0 113.949 -169.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 112.73 176.535 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpp . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.86 107.51 15.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 167.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.93 135.61 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.888 0.875 . . . . 0.0 109.846 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -128.23 134.98 49.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.021 0.928 . . . . 0.0 109.231 168.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.1 p -95.3 124.82 39.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.27 0.628 . . . . 0.0 109.836 169.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 13.5 mmm180 -123.81 145.02 49.36 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.811 0.278 . . . . 0.0 110.964 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.2 tptm -80.01 157.4 26.79 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.97 139.73 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 O-C-N 121.168 -0.958 . . . . 0.0 112.042 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.67 -2.6 84.67 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.71 1.148 . . . . 0.0 114.037 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.434 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 64.5 mm-40 -89.67 167.68 12.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.823 1.312 . . . . 0.0 112.689 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -128.15 158.06 39.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.867 0.867 . . . . 0.0 113.169 -170.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt -142.81 161.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 126.893 2.077 . . . . 0.0 108.025 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -134.44 146.56 49.92 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.177 0.991 . . . . 0.0 111.82 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.06 143.73 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.63 1.172 . . . . 0.0 108.934 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.01 -140.41 44.75 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 123.709 0.671 . . . . 0.0 111.66 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.37 8.76 12.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.167 0.987 . . . . 0.0 111.156 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -133.19 -12.55 2.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.27 138.53 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.849 0.749 . . . . 0.0 110.879 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -125.24 142.39 51.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.671 1.189 . . . . 0.0 109.282 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -122.09 145.26 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.655 1.182 . . . . 0.0 108.178 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -137.82 129.65 28.54 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 122.691 0.397 . . . . 0.0 110.121 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.11 115.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 168.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' C' ' 31' ' ' ARG . 7.4 mt -89.53 -35.87 15.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.922 -0.486 . . . . 0.0 109.94 -174.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.65 178.46 40.26 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 113.933 0.333 . . . . 0.0 113.933 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.05 154.4 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.77 0.828 . . . . 0.0 110.268 172.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -151.93 108.35 3.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 169.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -132.31 23.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.04 1.07 57.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.059 0.944 . . . . 0.0 111.946 170.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 151.01 23.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.288 1.035 . . . . 0.0 110.66 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 t -134.01 125.59 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.763 0.825 . . . . 0.0 108.98 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.534 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.6 ttm180 -84.39 114.0 21.58 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -120.31 127.09 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 109.395 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.0 135.72 12.29 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.939 0.78 . . . . 0.0 111.873 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -121.79 127.86 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.385 1.074 . . . . 0.0 108.568 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -129.07 89.95 2.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.846 -0.534 . . . . 0.0 110.288 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.16 156.98 73.71 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.611 1.164 . . . . 0.0 110.22 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -62.74 151.88 81.43 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.558 2.172 . . . . 0.0 111.087 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -65.39 -1.07 2.18 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.579 0.751 . . . . 0.0 112.675 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.78 -22.31 66.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 111.337 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -123.71 147.9 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.23 1.012 . . . . 0.0 110.508 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.02 22.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 122.786 0.435 . . . . 0.0 111.29 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.96 130.31 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.126 0.57 . . . . 0.0 109.489 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -154.41 164.03 39.26 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.454 0.702 . . . . 0.0 111.263 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -80.88 160.28 24.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -60.56 -32.57 71.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.033 0.533 . . . . 0.0 112.252 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.69 -44.02 76.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.85 0.86 . . . . 0.0 111.743 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -90.75 -30.11 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.534 0.733 . . . . 0.0 110.72 -172.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -51.63 -35.96 44.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.755 0.822 . . . . 0.0 112.336 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -60.17 -30.52 69.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.427 0.691 . . . . 0.0 112.353 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.52 -36.63 76.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.536 0.734 . . . . 0.0 111.689 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.21 -18.99 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.121 -0.362 . . . . 0.0 110.156 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -97.41 2.02 49.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.018 0.927 . . . . 0.0 113.112 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.07 -5.03 58.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.46 115.63 1.99 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' C' ' 57' ' ' ALA . 1.2 pt? -160.08 -176.48 5.69 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.007 . . . . 0.0 111.632 -168.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -72.44 -0.91 13.83 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.469 1.108 . . . . 0.0 113.918 -172.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.411 ' H ' ' HG ' ' C' ' 55' ' ' LEU . . . -125.85 86.0 58.33 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 124.071 0.948 . . . . 0.0 110.731 169.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -69.31 -179.78 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.276 2.651 . . . . 0.0 113.592 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.276 1.03 . . . . 0.0 112.195 172.635 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.6 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.41 107.13 9.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.234 2.614 . . . . 0.0 106.191 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -96.59 135.0 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.524 1.13 . . . . 0.0 109.471 -173.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.36 166.97 12.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.713 1.205 . . . . 0.0 111.129 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.41 109.91 15.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 107.957 168.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -122.14 129.5 52.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 109.975 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -73.94 153.36 39.81 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 111.062 171.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.761 HG11 HG12 ' D' ' 25' ' ' VAL . 15.6 m -57.38 139.07 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.365 0.602 . . . . 0.0 112.578 173.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.32 -6.34 83.45 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.643 1.116 . . . . 0.0 113.833 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.38 178.41 5.97 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.943 1.371 . . . . 0.0 112.579 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -131.13 156.33 45.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.737 0.815 . . . . 0.0 113.114 -169.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 57.0 mt -143.38 161.43 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.835 2.454 . . . . 0.0 108.782 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -140.28 152.23 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.377 -0.827 . . . . 0.0 112.482 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.16 139.26 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.782 1.233 . . . . 0.0 109.184 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.3 -135.7 51.38 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.78 10.05 5.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.059 0.943 . . . . 0.0 112.417 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -124.32 -14.53 6.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.934 0.894 . . . . 0.0 113.255 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.04 136.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.834 0.743 . . . . 0.0 110.881 -169.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -120.56 149.04 43.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.417 1.087 . . . . 0.0 109.706 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.5 142.92 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.312 1.445 . . . . 0.0 107.737 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -141.01 129.32 22.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.706 -0.622 . . . . 0.0 109.881 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -88.29 86.16 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.22 -32.21 73.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.821 -0.55 . . . . 0.0 111.753 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.93 -168.06 40.5 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.572 -0.823 . . . . 0.0 114.524 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.761 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -142.85 134.56 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.063 1.345 . . . . 0.0 110.246 -169.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 63.4 m -145.94 99.25 3.23 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.043 0.937 . . . . 0.0 109.818 -170.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -119.71 13.72 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.438 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mt-30 -97.16 -6.15 35.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.796 0.838 . . . . 0.0 111.038 173.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.47 HE22 ' H41' ' G' ' 4' ' ' ' C' . 37.2 mt-30 -80.2 159.98 25.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 112.573 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.98 124.37 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.588 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.37 113.98 18.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.85 115.97 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.662 0.785 . . . . 0.0 109.167 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.07 133.4 11.73 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 40.4 mt -122.71 138.64 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.953 0.901 . . . . 0.0 108.646 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -138.04 89.9 2.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.29 157.26 51.67 Favored Pre-proline 0 N--CA 1.451 -0.414 0 C-N-CA 124.681 1.193 . . . . 0.0 109.503 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.0 149.72 87.64 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 121.947 1.765 . . . . 0.0 110.41 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.65 -1.0 5.91 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.99 -23.94 66.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.926 1.291 . . . . 0.0 111.599 168.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.05 160.06 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.078 0.951 . . . . 0.0 110.879 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.96 157.09 16.06 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.464 0.706 . . . . 0.0 112.384 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.61 127.01 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 O-C-N 121.901 -0.5 . . . . 0.0 109.968 168.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -151.21 165.55 33.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.395 0.678 . . . . 0.0 111.991 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.56 158.19 18.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.267 0.627 . . . . 0.0 109.803 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.77 -36.73 79.7 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 121.722 -0.611 . . . . 0.0 111.305 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.25 -17.01 64.62 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -102.12 -40.59 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.021 0.928 . . . . 0.0 110.968 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -46.6 -39.83 11.81 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.344 1.458 . . . . 0.0 112.088 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.79 -26.09 67.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.828 1.251 . . . . 0.0 113.515 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.41 26.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.557 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.2 mp -60.69 -33.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.095 0.558 . . . . 0.0 110.303 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -83.29 0.39 45.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.013 0.525 . . . . 0.0 111.845 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.5 -4.31 59.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.461 1.105 . . . . 0.0 112.32 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.04 47.66 0.65 Allowed Glycine 0 CA--C 1.525 0.716 0 CA-C-N 118.418 0.554 . . . . 0.0 113.736 169.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -162.78 178.84 8.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.824 0.812 . . . . 0.0 112.003 -169.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -154.2 100.45 2.31 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.747 1.219 . . . . 0.0 108.402 166.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.05 79.46 0.32 Allowed Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 126.074 1.75 . . . . 0.0 113.642 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.78 146.0 87.75 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.994 3.129 . . . . 0.0 113.429 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.454 -0.231 0 C-N-CA 126.055 1.742 . . . . 0.0 114.219 173.541 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.83 134.6 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.977 0.911 . . . . 0.0 110.033 -173.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.02 127.05 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 158.01 26.51 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.797 1.639 . . . . 0.0 110.129 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.509 HG22 ' HG3' ' F' ' 29' ' ' GLN . 1.5 m -127.12 132.72 50.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 168.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -142.06 134.82 28.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.324 0.65 . . . . 0.0 111.367 -168.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.63 161.31 14.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 122.755 0.422 . . . . 0.0 111.311 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 8' ' ' VAL . . . . . 0.609 HG11 HG12 ' E' ' 25' ' ' VAL . 10.5 m -57.77 139.71 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.984 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.11 -3.57 86.95 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.163 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.5 172.98 8.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.695 1.247 . . . . 0.0 111.493 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -137.06 156.8 47.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.47 155.34 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 126.631 1.972 . . . . 0.0 108.563 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -133.72 151.04 51.52 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -136.88 137.56 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.732 1.213 . . . . 0.0 109.047 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -136.76 49.8 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -124.68 9.96 8.36 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.176 0.991 . . . . 0.0 111.624 174.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.65 -7.38 1.47 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.69 135.36 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.988 0.813 . . . . 0.0 110.811 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -127.87 142.72 51.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.535 1.134 . . . . 0.0 110.062 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.21 137.32 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.501 . . . . 0.0 108.317 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -131.98 128.24 37.99 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.228 0.611 . . . . 0.0 109.79 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.51 103.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.74 -32.18 67.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.985 -0.447 . . . . 0.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.4 -176.03 40.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 113.852 0.301 . . . . 0.0 113.852 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.609 HG12 HG11 ' E' ' 8' ' ' VAL . 7.8 p -138.43 134.21 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.55 1.14 . . . . 0.0 111.658 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -149.99 110.04 4.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.835 1.254 . . . . 0.0 110.287 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.57 -124.2 23.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -89.81 -14.72 33.87 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.341 0.571 . . . . 0.0 111.773 170.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.08 148.91 27.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.215 1.007 . . . . 0.0 111.927 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.24 111.73 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -87.01 123.63 32.32 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -128.08 130.65 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.879 0.871 . . . . 0.0 110.427 -168.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.72 143.06 16.41 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.391 0.996 . . . . 0.0 111.464 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -134.44 126.55 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.746 1.219 . . . . 0.0 108.978 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -126.27 100.9 6.5 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.01 0.524 . . . . 0.0 109.589 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 154.89 73.52 Favored Pre-proline 0 N--CA 1.452 -0.349 0 C-N-CA 124.389 1.076 . . . . 0.0 110.541 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.72 158.89 39.77 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.866 2.377 . . . . 0.0 112.15 172.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -72.64 -0.97 14.46 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 171.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.11 -21.35 66.35 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.274 1.03 . . . . 0.0 111.377 168.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.84 158.6 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.358 1.063 . . . . 0.0 110.526 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.19 158.86 15.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.04 129.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.092 0.557 . . . . 0.0 110.511 171.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -151.82 170.44 19.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.933 0.893 . . . . 0.0 111.31 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -80.47 161.1 25.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 168.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.16 -18.49 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -169.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.55 -53.98 49.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.263 0.625 . . . . 0.0 110.42 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.34 -38.8 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.121 0.568 . . . . 0.0 109.579 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.32 -35.32 50.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.143 0.977 . . . . 0.0 112.652 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.16 -21.96 65.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.422 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -71.81 -47.45 53.22 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.601 0.637 . . . . 0.0 109.751 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.484 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -63.19 -23.6 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.227 1.411 . . . . 0.0 110.515 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -85.26 -43.23 13.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 169.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.64 -31.15 10.51 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -166.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.24 -21.62 1.17 Allowed Glycine 0 CA--C 1.525 0.675 0 CA-C-N 118.868 0.758 . . . . 0.0 113.237 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.86 178.42 0.14 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 127.837 2.455 . . . . 0.0 113.061 169.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -92.9 -7.05 47.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.95 132.09 18.17 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.256 1.022 . . . . 0.0 110.042 172.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.73 -179.02 1.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.918 2.412 . . . . 0.0 113.334 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.455 -0.185 0 C-N-CA 124.635 1.174 . . . . 0.0 112.796 178.488 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.72 149.4 21.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.012 -0.43 . . . . 0.0 111.481 175.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.412 HG22 ' H62' ' G' ' 18' ' ' ' A' . 5.0 mp -131.48 133.92 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -130.94 162.94 28.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.695 1.198 . . . . 0.0 109.876 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -128.81 102.47 6.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 167.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.579 ' HD2' HD11 ' F' ' 12' ' ' ILE . 3.7 mmp_? -104.91 156.07 18.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.859 0.864 . . . . 0.0 109.652 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -114.12 167.56 10.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.72 132.63 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.912 -168.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.04 -11.44 65.83 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.384 0.992 . . . . 0.0 114.326 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -89.59 165.14 14.44 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.891 1.346 . . . . 0.0 112.407 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -134.29 151.56 51.33 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.579 HD11 ' HD2' ' F' ' 6' ' ' ARG . 48.4 mm -129.72 154.73 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 127.428 2.291 . . . . 0.0 108.385 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -134.03 146.05 50.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.485 -0.759 . . . . 0.0 111.235 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -135.53 142.54 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.386 1.074 . . . . 0.0 109.256 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.82 -132.3 51.04 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.83 10.09 5.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.155 0.982 . . . . 0.0 112.473 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -136.21 -16.17 1.66 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.18 136.95 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.345 0.975 . . . . 0.0 110.823 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -133.0 142.5 48.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.197 0.999 . . . . 0.0 110.631 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -123.3 142.68 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 125.96 1.704 . . . . 0.0 108.165 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -138.17 130.16 28.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.945 0.498 . . . . 0.0 110.152 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.05 114.89 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -85.65 -28.96 24.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.567 0.747 . . . . 0.0 110.95 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.47 -177.63 33.36 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.832 0.254 . . . . 0.0 113.66 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -120.89 158.44 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 123.561 0.744 . . . . 0.0 112.414 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -149.13 89.95 1.7 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.092 1.357 . . . . 0.0 108.092 168.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.36 -124.4 34.62 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -169.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.15 -17.84 61.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.556 0.742 . . . . 0.0 112.912 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 29' ' ' GLN . . . . . 0.509 ' HG3' HG22 ' E' ' 5' ' ' THR . 17.7 tt0 -85.54 143.49 28.47 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.59 118.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 125.485 1.514 . . . . 0.0 107.293 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -93.13 127.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.211 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.11 138.62 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.927 0.891 . . . . 0.0 110.761 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 142.26 15.52 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.184 0.897 . . . . 0.0 111.327 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -130.55 133.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.616 1.166 . . . . 0.0 109.494 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -132.95 108.36 8.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.655 0.782 . . . . 0.0 109.437 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.84 157.94 76.62 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.745 0.818 . . . . 0.0 111.418 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.21 162.14 37.26 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.092 2.528 . . . . 0.0 112.226 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -67.96 -11.85 59.61 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.706 0.802 . . . . 0.0 112.667 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -20.5 66.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.07 1.348 . . . . 0.0 112.686 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.98 165.69 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.741 0.817 . . . . 0.0 111.336 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.43 160.9 14.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.29 0.636 . . . . 0.0 111.729 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 p -154.98 114.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.737 0.815 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -152.28 174.21 14.07 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.851 0.86 . . . . 0.0 110.416 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.53 163.6 24.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.733 -0.604 . . . . 0.0 110.342 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -62.32 -25.96 68.17 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.05 0.54 . . . . 0.0 112.358 -172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.86 -44.26 90.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 111.676 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -86.62 -28.92 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.553 0.741 . . . . 0.0 109.739 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.524 ' HA ' HG12 ' F' ' 51' ' ' ILE . 69.6 t80 -52.76 -34.22 52.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.919 0.888 . . . . 0.0 112.843 175.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.73 -23.04 66.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.517 0.727 . . . . 0.0 112.366 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -84.46 -22.97 30.11 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.441 0.697 . . . . 0.0 110.937 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' F' ' 48' ' ' TYR . 5.7 mm -68.26 -55.2 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.65 0.78 . . . . 0.0 109.535 172.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.73 3.1 10.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.014 0.925 . . . . 0.0 112.256 -172.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.71 -9.05 56.33 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.441 1.097 . . . . 0.0 113.184 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.09 26.23 0.13 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 115.334 0.893 . . . . 0.0 115.334 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.76 -170.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.462 1.131 . . . . 0.0 111.305 -169.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 13.4 m -124.5 -26.82 3.82 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.343 0.657 . . . . 0.0 112.497 172.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.67 124.36 19.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.513 0.725 . . . . 0.0 110.319 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.95 173.55 3.77 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.146 2.564 . . . . 0.0 113.2 173.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 N--CA 1.453 -0.297 0 C-N-CA 124.244 1.017 . . . . 0.0 111.335 173.242 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 O4'-C1'-N19 111.821 3.621 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.428 3.228 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.467 4.267 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.47 ' H41' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.847 3.647 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.111 2.911 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-O4' 114.544 3.817 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C5'-C4'-C3' 110.078 -3.615 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.268 3.075 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 O5'-C5'-C4' 113.336 2.24 . 0.024 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C5'-C4'-C3' 109.924 -3.717 . 0.206 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 110.992 2.792 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.49 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 111.88 -2.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 1 C5'-C4'-C3' 107.826 -5.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C4'-C3'-C2' 100.201 -2.499 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.703 3.503 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 O4'-C1'-N19 111.165 2.965 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 110.388 -3.408 . 0.462 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . 0.412 ' H62' HG22 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C4'-C3'-C2' 99.754 -2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 2 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 112.122 3.922 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 2 O4'-C1'-N19 112.638 4.438 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 111.351 -2.766 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.604 4.404 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 112.072 3.872 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 N19-C1'-C2' 108.6 -3.0 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 O4'-C1'-N19 111.222 3.022 . 0.636 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 C5'-C4'-C3' 111.962 -2.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 0 C5'-C4'-C3' 112.042 -2.306 . 0.052 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C5'-C4'-C3' 111.271 -2.819 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . 0.591 " H1'" HD13 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 O4'-C1'-N19 111.048 2.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 99.72 -2.98 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.583 3.383 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 O4'-C1'-N19 112.319 4.119 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.206 -3.494 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 99.535 -3.165 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.991 3.791 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 C5'-C4'-C3' 109.614 -3.924 . 0.787 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.429 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-C3' 110.603 -3.265 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.429 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 C3'-C2'-C1' 104.036 2.818 . 0.24 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 1 O4'-C1'-N19 113.248 5.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 1 C5'-C4'-C3' 109.068 -4.288 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.66 4.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 O4'-C1'-N19 112.857 4.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.856 4.656 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.234 4.034 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 111.181 2.981 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 112.081 3.881 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 1 C3'-C2'-C1' 105.102 4.002 . 0.119 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.414 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C4'-C3'-C2' 99.861 -2.839 . 0.044 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.423 3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 111.121 -2.92 . 0.408 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.408 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 O5'-C5'-C4' 117.057 4.898 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C5'-C4'-C3' 112.254 -2.164 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.227 4.027 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.173 -2.527 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.298 3.098 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C4'-C3' 108.056 1.826 . 0.133 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 O4'-C1'-N19 113.322 5.122 . 0.09 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.41 3.21 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.392 3.192 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 0 C3'-C2'-C1' 104.531 3.368 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.431 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 110.223 -3.518 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 99.988 -2.712 . 0.229 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C3'-C2'-C1' 103.78 2.534 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 0 C5'-C4'-C3' 111.91 -2.394 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.402 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.353 2 C5'-C4'-C3' 105.987 -6.342 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 1 P-O3'-C3' 125.579 4.899 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 0 N19-C1'-C2' 108.928 -2.795 . 0.925 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 112.075 3.875 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.361 3.161 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.664 3.464 . 0.178 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.45 110.69 23.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.601 0.76 . . . . 0.0 109.602 -176.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.35 135.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.125 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.85 158.07 43.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.406 1.082 . . . . 0.0 109.772 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.4 m -119.88 100.96 7.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.63 140.88 41.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.134 0.973 . . . . 0.0 110.456 -169.293 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -105.87 155.48 19.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.941 0.337 . . . . 0.0 110.204 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.35 121.95 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.762 0.825 . . . . 0.0 110.584 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.48 -0.55 59.84 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.256 0.932 . . . . 0.0 114.272 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -101.16 166.52 10.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.71 1.255 . . . . 0.0 111.631 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 150.11 51.11 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' HD2' ' A' ' 6' ' ' ARG . 33.1 mm -112.31 155.04 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.722 1.609 . . . . 0.0 109.842 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -123.65 140.51 52.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.854 1.262 . . . . 0.0 110.201 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.97 134.45 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.162 0.985 . . . . 0.0 109.583 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.9 -129.14 29.59 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.04 2.23 4.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.592 0.757 . . . . 0.0 112.363 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -134.48 -14.14 2.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.04 137.9 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.785 0.834 . . . . 0.0 110.111 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.24 148.23 47.95 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.605 0.762 . . . . 0.0 109.303 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.13 141.85 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.906 1.283 . . . . 0.0 108.053 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 m -138.0 136.03 36.52 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.434 0.561 . . . . 0.0 109.91 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.31 101.14 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.93 58.05 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.664 -0.648 . . . . 0.0 111.39 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -167.95 40.68 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 118.108 0.413 . . . . 0.0 113.331 169.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.47 145.57 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.269 0.628 . . . . 0.0 111.607 -172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -137.36 67.21 1.44 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 110.154 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -127.46 9.12 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -80.32 -12.31 59.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 17.9 pt20 -98.77 133.05 43.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 122.518 1.152 . . . . 0.0 111.668 174.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.92 127.16 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 126.256 1.822 . . . . 0.0 108.287 -169.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -89.17 101.9 14.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.36 135.75 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.474 1.11 . . . . 0.0 109.395 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.37 141.63 17.1 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.147 0.879 . . . . 0.0 111.934 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.59 140.89 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.442 1.497 . . . . 0.0 108.503 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -129.11 74.99 1.62 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.786 1.234 . . . . 0.0 109.328 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.36 153.95 45.48 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 125.158 1.383 . . . . 0.0 110.775 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.6 155.64 49.73 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.556 2.171 . . . . 0.0 110.7 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -67.33 -5.77 15.77 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.25 -24.68 65.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.036 0.935 . . . . 0.0 112.084 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -120.38 144.1 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.886 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 143.04 38.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.426 1.091 . . . . 0.0 111.533 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 t -127.37 120.19 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.453 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.1 m-70 -147.82 -176.02 5.1 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.892 0.877 . . . . 0.0 110.514 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.86 167.61 16.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 112.175 171.288 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.837 0.855 . . . . 0.0 112.334 -173.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -58.53 -25.18 62.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.871 1.268 . . . . 0.0 113.091 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.07 -24.29 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.151 1.38 . . . . 0.0 111.126 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -63.97 -31.54 72.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -174.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -73.16 -14.03 61.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.122 0.969 . . . . 0.0 111.705 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.45 -32.35 29.0 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.75 1.22 . . . . 0.0 111.003 170.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 43' ' ' HIS . 36.6 mt -65.53 -52.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.589 0.756 . . . . 0.0 109.056 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -84.03 5.15 26.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.987 0.915 . . . . 0.0 112.001 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.02 63.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.176 0.59 . . . . 0.0 111.453 168.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.18 6.13 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 CA-C-O 119.198 -0.779 . . . . 0.0 113.187 171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 56' ' ' THR . 14.3 mt -82.87 90.58 6.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.758 1.279 . . . . 0.0 107.823 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.7 p 163.77 -29.89 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 126.785 2.034 . . . . 0.0 109.533 -169.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 154.09 58.04 Favored Pre-proline 0 N--CA 1.455 -0.203 0 C-N-CA 124.891 1.277 . . . . 0.0 112.844 -169.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.78 158.68 56.17 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 123.068 2.512 . . . . 0.0 112.267 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 111.54 174.257 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.16 122.0 42.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 107.499 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.403 ' CD1' " H4'" ' G' ' 52' ' ' ' A' . 41.7 mt -118.68 141.25 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.076 0.55 . . . . 0.0 112.073 -165.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.422 HD23 ' C2 ' ' G' ' 48' ' ' ' A' . 96.3 mt -142.06 135.3 29.04 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.658 1.183 . . . . 0.0 111.176 -174.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -83.33 126.41 32.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 166.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -126.59 116.79 21.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.929 0.492 . . . . 0.0 110.028 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 58.8 tttt -82.7 149.08 27.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -57.28 128.57 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.607 -169.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.68 -6.86 59.11 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.926 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -88.77 167.81 12.99 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.068 1.434 . . . . 0.0 111.862 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -130.13 150.93 51.17 Favored 'General case' 0 C--N 1.338 0.073 0 C-N-CA 123.867 0.867 . . . . 0.0 112.873 -168.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 15.1 mt -132.42 153.69 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 126.502 1.921 . . . . 0.0 109.761 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -136.68 141.2 43.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 121.645 -0.659 . . . . 0.0 111.911 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -134.26 132.42 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 109.816 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.61 -137.4 50.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.8 4.02 9.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.627 0.771 . . . . 0.0 112.084 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.56 -15.42 8.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.792 0.837 . . . . 0.0 112.891 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.75 135.85 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 118.823 0.738 . . . . 0.0 110.654 -172.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -131.84 148.71 52.57 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.697 1.199 . . . . 0.0 109.759 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mm -130.6 144.47 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.708 1.603 . . . . 0.0 108.226 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -137.49 135.47 36.83 Favored 'General case' 0 C--N 1.334 -0.097 0 O-C-N 122.028 -0.42 . . . . 0.0 110.378 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.43 100.21 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.11 -29.52 60.6 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.695 -0.628 . . . . 0.0 111.394 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.3 -174.37 37.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 122.552 0.12 . . . . 0.0 113.129 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.99 154.93 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 CA-C-O 121.311 0.577 . . . . 0.0 111.459 177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -140.22 74.0 1.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.127 1.371 . . . . 0.0 108.637 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.96 -116.71 4.26 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -101.59 8.53 41.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.465 0.706 . . . . 0.0 110.881 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.97 154.36 18.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.912 0.885 . . . . 0.0 110.236 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.75 118.23 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.684 0.794 . . . . 0.0 109.246 -169.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -87.7 121.68 30.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.915 0.886 . . . . 0.0 109.696 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -131.25 134.53 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.492 1.117 . . . . 0.0 109.716 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 140.66 15.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 123.504 0.573 . . . . 0.0 111.743 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.08 132.17 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.867 0.867 . . . . 0.0 109.488 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -133.03 75.05 1.6 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.526 -168.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.65 157.49 51.91 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.773 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.78 156.66 41.89 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.05 1.834 . . . . 0.0 111.241 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -67.26 -0.73 3.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.166 0.987 . . . . 0.0 112.357 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.88 -25.74 67.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.707 1.603 . . . . 0.0 111.366 171.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.13 144.15 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.659 1.184 . . . . 0.0 110.286 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.72 142.8 29.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 111.403 169.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -143.45 95.07 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.974 -166.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 161.36 40.69 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.28 0.632 . . . . 0.0 111.699 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.4 ptt-85 -67.53 158.38 32.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -54.75 -36.75 65.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.711 0.804 . . . . 0.0 112.107 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -51.19 58.21 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.13 0.572 . . . . 0.0 111.437 174.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -71.08 -45.49 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.747 1.219 . . . . 0.0 110.491 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -51.87 -37.6 52.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.925 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -68.42 -25.07 64.84 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -81.51 -38.65 25.93 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.943 0.792 . . . . 0.0 110.461 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.94 -41.4 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -79.89 5.11 14.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.56 -15.43 56.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.07 0.548 . . . . 0.0 111.698 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.05 46.2 0.13 Allowed Glycine 0 C--N 1.338 0.644 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.146 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.95 -176.62 2.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 113.009 -168.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -126.45 178.0 6.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.623 1.569 . . . . 0.0 109.15 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.03 118.68 0.96 Allowed Pre-proline 0 CA--C 1.53 0.193 0 C-N-CA 124.798 1.239 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.02 175.34 8.45 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.872 1.715 . . . . 0.0 113.771 -169.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.51 173.105 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.25 115.38 30.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.041 1.337 . . . . 0.0 108.338 170.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.41 133.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.583 0.753 . . . . 0.0 109.886 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.14 134.9 51.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.817 0.847 . . . . 0.0 109.52 168.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -90.2 139.24 30.83 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.77 130.2 18.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -75.55 151.3 37.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.503 1.121 . . . . 0.0 109.418 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.45 140.6 17.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 O-C-N 121.545 -0.722 . . . . 0.0 112.264 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.77 -3.92 84.93 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.661 1.124 . . . . 0.0 114.06 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -85.87 172.54 10.66 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.7 1.25 . . . . 0.0 112.706 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -132.63 157.7 44.13 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.174 0.99 . . . . 0.0 112.928 -172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -141.64 154.68 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 C-N-CA 127.021 2.129 . . . . 0.0 108.564 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -125.47 147.64 49.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.354 1.062 . . . . 0.0 111.757 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -136.12 139.97 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.887 1.275 . . . . 0.0 109.094 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -138.8 47.49 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.681 0.658 . . . . 0.0 111.622 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.76 7.46 11.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.142 0.977 . . . . 0.0 111.38 169.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -132.5 -11.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 113.398 -169.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.74 137.31 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 118.77 0.714 . . . . 0.0 110.788 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -126.59 143.73 51.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.494 1.117 . . . . 0.0 109.519 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -124.17 142.5 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.165 1.386 . . . . 0.0 108.202 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -135.4 131.98 36.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 122.117 -0.364 . . . . 0.0 110.452 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -88.06 111.99 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 168.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.402 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -88.65 -35.93 16.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.882 -0.511 . . . . 0.0 110.041 -175.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.33 178.58 40.18 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 113.945 0.338 . . . . 0.0 113.945 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.15 149.76 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.541 0.736 . . . . 0.0 110.589 172.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -144.88 104.38 3.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.566 1.146 . . . . 0.0 108.58 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.64 -128.68 27.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -169.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.71 -1.28 55.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.9 0.88 . . . . 0.0 112.208 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.59 153.98 22.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.445 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.59 122.89 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.18 0.992 . . . . 0.0 108.51 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.402 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.8 ttm180 -79.31 114.66 18.42 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 169.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.92 123.22 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.574 1.149 . . . . 0.0 109.602 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 141.81 20.68 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.138 1.351 . . . . 0.0 111.908 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -132.13 132.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -137.99 89.99 2.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.0 157.34 78.36 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.253 1.021 . . . . 0.0 110.127 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.76 154.16 71.11 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.635 2.223 . . . . 0.0 111.341 171.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.38 -0.88 2.93 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.534 0.734 . . . . 0.0 112.626 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.376 1.07 . . . . 0.0 111.445 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.27 151.85 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.172 0.989 . . . . 0.0 110.852 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.01 154.42 22.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.116 0.566 . . . . 0.0 111.571 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.45 128.94 21.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 123.053 0.541 . . . . 0.0 109.876 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -155.63 162.68 40.57 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.238 0.615 . . . . 0.0 111.787 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -77.57 163.72 26.01 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 165.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.81 -27.54 67.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.046 -0.409 . . . . 0.0 111.768 -170.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.02 -44.67 87.45 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.869 0.868 . . . . 0.0 111.456 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.23 -31.76 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 118.871 -0.585 . . . . 0.0 110.91 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.567 ' HA ' HD13 ' C' ' 51' ' ' ILE . 22.5 t80 -49.4 -41.28 39.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.64 0.654 . . . . 0.0 111.422 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -51.55 -20.75 2.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.576 1.95 . . . . 0.0 113.893 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -87.12 -39.18 15.78 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.567 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp -49.22 -42.15 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.28 1.432 . . . . 0.0 112.587 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.04 2.12 29.21 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.694 1.998 . . . . 0.0 110.372 -168.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.02 -12.41 47.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.28 1.832 . . . . 0.0 113.303 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.75 127.33 4.99 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -168.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.23 162.4 13.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.482 0.713 . . . . 0.0 111.796 -168.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.0 p -88.77 -8.73 53.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.014 0.925 . . . . 0.0 113.003 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.2 83.56 38.51 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 123.691 0.796 . . . . 0.0 111.052 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -69.15 179.96 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.318 2.678 . . . . 0.0 112.522 171.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.841 0.857 . . . . 0.0 112.54 175.593 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -128.08 109.28 11.38 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.093 1.757 . . . . 0.0 106.571 166.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.51 124.88 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 108.475 -172.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 mt -110.37 169.06 8.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.861 0.864 . . . . 0.0 110.031 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.79 109.82 12.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -117.32 131.52 56.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.851 0.861 . . . . 0.0 110.028 -168.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -75.61 153.27 37.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.523 0.601 . . . . 0.0 110.582 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.76 HG11 HG12 ' D' ' 25' ' ' VAL . 16.0 m -55.69 135.57 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.078 170.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.33 -2.52 74.65 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.391 0.996 . . . . 0.0 114.144 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -97.44 175.98 6.04 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.995 1.398 . . . . 0.0 112.642 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -132.44 161.89 32.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.82 0.848 . . . . 0.0 113.252 -168.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -146.1 159.24 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 127.278 2.231 . . . . 0.0 108.293 -171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.1 149.75 52.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.256 -0.902 . . . . 0.0 112.01 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -134.25 139.23 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.748 1.219 . . . . 0.0 109.802 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -134.75 52.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 10.02 5.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.698 0.799 . . . . 0.0 112.32 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -126.55 -13.09 6.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.008 0.923 . . . . 0.0 113.298 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.53 133.4 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.91 0.777 . . . . 0.0 110.515 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -117.28 148.85 41.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.962 0.905 . . . . 0.0 109.606 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.92 144.84 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.988 1.315 . . . . 0.0 108.164 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -140.48 140.8 35.39 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.834 -0.541 . . . . 0.0 109.849 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -98.82 91.56 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.93 -33.02 74.68 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.709 -0.619 . . . . 0.0 111.735 -168.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.99 40.88 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-O 121.474 0.486 . . . . 0.0 113.52 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.76 HG12 HG11 ' D' ' 8' ' ' VAL . 7.6 p -139.72 133.59 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.523 1.129 . . . . 0.0 110.077 -169.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -139.79 88.13 2.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.027 1.331 . . . . 0.0 109.232 -169.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -123.05 22.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -171.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -8.47 44.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.679 0.791 . . . . 0.0 110.98 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.17 156.42 20.34 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.893 0.854 . . . . 0.0 111.779 170.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.09 127.58 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 124.19 0.996 . . . . 0.0 108.7 -173.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -83.47 112.66 20.16 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 122.936 0.495 . . . . 0.0 109.85 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -115.23 120.79 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.352 0.661 . . . . 0.0 109.426 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.8 139.27 14.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.71 1.148 . . . . 0.0 110.862 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.4 mt -134.18 134.96 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -137.99 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.05 157.56 48.34 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.775 1.23 . . . . 0.0 109.032 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.85 149.45 90.06 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.591 1.528 . . . . 0.0 110.107 169.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -68.71 -1.02 6.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.79 -0.569 . . . . 0.0 112.512 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.96 -23.21 66.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.121 1.369 . . . . 0.0 111.779 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.31 160.04 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.182 0.993 . . . . 0.0 110.928 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.82 157.06 16.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.32 0.648 . . . . 0.0 112.677 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.46 126.01 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.925 0.49 . . . . 0.0 109.846 167.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -150.11 164.68 34.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.537 0.735 . . . . 0.0 111.538 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -60.93 156.95 16.35 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 168.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.55 -35.84 77.0 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.855 0.752 . . . . 0.0 111.457 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.42 -23.8 66.36 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 24.4 mm -95.1 -35.4 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.562 1.145 . . . . 0.0 111.064 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -51.68 -41.31 61.33 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.139 0.976 . . . . 0.0 111.185 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.66 -22.15 63.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.58 1.152 . . . . 0.0 113.213 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 64.4 mtt180 -81.03 -45.52 16.43 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.085 0.954 . . . . 0.0 110.837 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.57 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.1 mp -60.27 -31.51 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 171.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.47 2.08 51.63 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.714 0.805 . . . . 0.0 111.521 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -80.04 1.54 27.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.143 1.377 . . . . 0.0 112.25 170.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.12 35.37 2.54 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.596 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.428 ' C ' HD12 ' D' ' 55' ' ' LEU . 3.7 pp -161.2 -172.24 3.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.041 0.92 . . . . 0.0 112.716 -168.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.562 HG22 ' H ' ' D' ' 57' ' ' ALA . 4.2 m -139.22 172.4 12.89 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.392 1.477 . . . . 0.0 107.854 166.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.562 ' H ' HG22 ' D' ' 56' ' ' THR . . . -43.99 127.86 4.32 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 124.001 0.92 . . . . 0.0 112.282 -173.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -58.09 164.73 7.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.11 2.54 . . . . 0.0 114.304 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 N--CA 1.454 -0.246 0 C-N-CA 124.666 1.187 . . . . 0.0 112.731 -178.802 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . 0.321 12.7 ttt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt -131.4 135.17 46.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.222 1.809 . . . . 0.0 108.284 166.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.46 138.95 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.011 0.925 . . . . 0.0 109.274 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.7 165.04 34.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.114 0.966 . . . . 0.0 112.052 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.86 127.65 49.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.468 0.707 . . . . 0.0 109.926 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.27 125.03 31.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.929 1.291 . . . . 0.0 109.919 -170.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -90.57 166.45 13.2 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 119.762 1.164 . . . . 0.0 112.457 174.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.85 137.02 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.967 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.56 83.87 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.125 0.869 . . . . 0.0 114.206 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -93.06 172.58 8.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.782 1.291 . . . . 0.0 111.595 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.36 158.41 44.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -138.49 156.38 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 126.914 2.085 . . . . 0.0 108.223 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.98 150.7 49.35 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.48 -0.763 . . . . 0.0 113.049 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.57 139.86 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.728 1.211 . . . . 0.0 108.995 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -138.3 49.74 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.12 4.46 9.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.94 0.896 . . . . 0.0 111.715 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.92 -3.65 2.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.748 0.819 . . . . 0.0 113.052 -170.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.87 133.97 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.87 0.759 . . . . 0.0 110.62 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -127.16 144.89 50.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.379 1.072 . . . . 0.0 109.997 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -126.24 140.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.272 1.429 . . . . 0.0 108.013 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -137.69 126.98 24.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.781 0.432 . . . . 0.0 109.913 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.35 105.34 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.38 -29.95 57.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.939 0.496 . . . . 0.0 110.904 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.91 -174.76 35.24 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.383 0.516 . . . . 0.0 113.673 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -120.6 155.45 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.029 0.932 . . . . 0.0 111.655 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -141.75 89.93 2.24 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.795 1.238 . . . . 0.0 109.112 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -104.97 1.45 Allowed Glycine 0 CA--C 1.524 0.647 0 O-C-N 121.827 -0.546 . . . . 0.0 111.891 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -98.42 -20.11 17.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.595 0.697 . . . . 0.0 111.894 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -71.4 148.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.278 0.631 . . . . 0.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 t -139.75 116.93 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -90.63 124.86 35.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.211 0.605 . . . . 0.0 109.682 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.91 130.04 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.083 0.553 . . . . 0.0 110.667 -168.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.47 143.89 16.76 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.263 0.935 . . . . 0.0 111.864 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.7 mt -133.77 126.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.455 1.502 . . . . 0.0 108.474 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -128.83 98.9 5.12 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -172.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.08 155.98 74.18 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 124.936 1.294 . . . . 0.0 110.014 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.43 159.09 32.98 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.585 2.19 . . . . 0.0 111.974 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' E' ' 38' ' ' LYS . 12.5 mmmm -69.27 -0.91 6.84 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.907 0.883 . . . . 0.0 112.642 169.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.92 -23.59 67.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 169.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.88 157.84 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 111.074 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.39 155.99 18.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.975 0.51 . . . . 0.0 111.878 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.99 125.52 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.877 0.471 . . . . 0.0 110.508 169.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -150.91 170.85 18.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -80.23 162.5 24.61 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.64 -0.662 . . . . 0.0 110.646 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -59.51 -26.5 65.36 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.365 0.666 . . . . 0.0 112.292 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -61.32 -49.9 75.13 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.259 1.024 . . . . 0.0 111.438 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.74 -31.83 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -55.26 -33.25 63.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.446 1.098 . . . . 0.0 112.583 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -70.27 -25.49 63.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.258 0.623 . . . . 0.0 112.54 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.75 -22.97 60.77 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.82 0.848 . . . . 0.0 110.965 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -94.94 -48.5 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.946 0.899 . . . . 0.0 109.507 -170.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -71.12 3.05 3.78 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.53 -23.09 67.25 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.597 0.759 . . . . 0.0 112.5 169.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.3 23.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 CA-C-O 119.064 -0.853 . . . . 0.0 115.056 169.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.37 -176.06 5.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.627 1.213 . . . . 0.0 112.476 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 22.8 m -137.01 -47.34 0.59 Allowed 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.355 0.662 . . . . 0.0 112.325 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 57' ' ' ALA . . . . . 0.545 ' H ' ' HD3' ' E' ' 58' ' ' PRO . . . -131.84 2.53 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 -168.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 58' ' ' PRO . . . . . 0.545 ' HD3' ' H ' ' E' ' 57' ' ' ALA . 73.5 Cg_exo -59.29 167.52 5.99 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 123.093 2.14 . . . . 0.0 115.405 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 125.299 1.44 . . . . 0.0 113.016 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.61 149.31 21.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.072 -0.393 . . . . 0.0 111.413 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.0 128.04 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.41 0.684 . . . . 0.0 109.157 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.53 152.13 32.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.973 1.309 . . . . 0.0 109.262 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.73 97.02 4.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.82 145.09 51.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.55 0.74 . . . . 0.0 111.359 -175.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.67 174.18 7.39 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.88 139.12 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -5.6 82.2 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.862 0.744 . . . . 0.0 114.46 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.68 175.66 10.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.762 1.281 . . . . 0.0 112.742 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -145.33 150.07 35.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.504 1.122 . . . . 0.0 110.856 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.41 157.08 41.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 125.627 1.571 . . . . 0.0 108.605 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -130.88 149.48 52.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.285 -0.885 . . . . 0.0 112.159 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.4 mt -136.39 143.13 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.486 1.114 . . . . 0.0 109.07 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.74 -138.46 48.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -124.93 10.0 8.21 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.078 0.951 . . . . 0.0 112.31 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -133.16 -9.89 2.96 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.75 137.63 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.404 1.002 . . . . 0.0 111.217 -171.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -131.35 145.16 51.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.352 1.061 . . . . 0.0 110.589 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -124.25 141.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 126.037 1.735 . . . . 0.0 108.453 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 15.4 m -135.81 138.76 42.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.095 0.958 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -96.11 112.11 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.38 -28.25 41.9 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.649 0.38 . . . . 0.0 110.149 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.28 -169.42 31.52 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.611 0.624 . . . . 0.0 113.327 168.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.34 160.7 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.355 0.662 . . . . 0.0 112.04 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -148.99 95.88 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.493 1.117 . . . . 0.0 109.306 169.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.47 -102.93 1.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -100.47 -19.4 16.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.404 0.602 . . . . 0.0 112.126 171.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.59 144.75 45.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.05 0.54 . . . . 0.0 110.518 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.33 112.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -88.09 124.82 34.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.185 0.594 . . . . 0.0 109.489 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.98 142.45 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.408 1.083 . . . . 0.0 109.845 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.23 143.53 17.56 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.383 0.992 . . . . 0.0 111.128 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 57.3 mt -135.54 127.87 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.497 1.119 . . . . 0.0 109.662 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -124.68 105.72 9.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.577 0.751 . . . . 0.0 109.456 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.28 158.36 75.42 Favored Pre-proline 0 N--CA 1.453 -0.292 0 C-N-CA 124.207 1.003 . . . . 0.0 110.93 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.21 159.72 41.96 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.746 2.297 . . . . 0.0 112.357 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.5 -12.57 45.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -16.38 63.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 112.406 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.35 168.09 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.955 0.902 . . . . 0.0 110.875 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.63 158.88 15.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.347 0.659 . . . . 0.0 111.389 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.01 120.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.552 0.741 . . . . 0.0 109.993 174.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.68 177.73 11.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.937 0.895 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -79.66 164.09 24.04 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.045 -0.409 . . . . 0.0 109.939 168.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.39 -26.05 66.36 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.141 0.576 . . . . 0.0 112.426 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.23 -48.16 82.9 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.868 0.867 . . . . 0.0 111.4 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -83.46 -26.27 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.251 0.621 . . . . 0.0 110.347 -169.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.93 -33.52 62.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.825 0.85 . . . . 0.0 112.686 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -70.35 -22.07 62.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.224 0.609 . . . . 0.0 112.617 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -73.22 -23.05 60.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.581 0.752 . . . . 0.0 110.967 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.41 -48.22 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.77 0.828 . . . . 0.0 109.935 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -70.12 3.02 3.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -24.39 67.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.093 0.957 . . . . 0.0 113.067 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.12 26.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 114.941 0.736 . . . . 0.0 114.941 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -157.97 178.3 10.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.333 1.066 . . . . 0.0 111.408 -169.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 5.8 m -146.55 159.05 43.93 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.403 0.681 . . . . 0.0 110.54 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.32 71.89 1.29 Allowed Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 125.12 1.368 . . . . 0.0 112.848 170.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.72 140.28 56.83 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.386 2.724 . . . . 0.0 112.9 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 125.89 1.676 . . . . 0.0 113.995 172.132 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-C3' 110.886 -3.076 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.511 3.311 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.642 4.442 . 0.511 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 1 O4'-C1'-N19 112.98 4.78 OUTLIER-EPSILON 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.435 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.466 1 P-O3'-C3' 126.2 5.416 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.435 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 107.471 -5.353 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.442 ' C5 ' ' HD2' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.033 1 O4'-C1'-N19 112.289 4.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.379 3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 P-O3'-C3' 122.336 2.197 . 0.013 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 104.56 3.4 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.756 3.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.457 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 110.332 -3.445 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 C4'-C3'-C2' 98.181 -4.519 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 99.751 -2.949 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.556 3.356 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.416 3.216 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C5'-C4'-C3' 111.08 -2.947 . 0.324 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 1 O4'-C1'-N19 112.313 4.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 C4'-C3'-C2' 98.637 -4.063 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C5'-C4'-C3' 110.047 -3.635 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 4 C4'-C3'-C2' 96.057 -6.643 OUTLIER-DELTA 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C4'-C3'-C2' 100.099 -2.601 . 0.049 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 1 O4'-C1'-N19 112.358 4.158 . 0.898 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 O4'-C1'-N19 112.363 4.163 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 N19-C1'-C2' 108.942 -2.786 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 O4'-C1'-N19 111.545 3.345 . 0.51 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C5'-C4'-C3' 111.268 -2.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 111.967 -2.355 . 0.056 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.427 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 C5'-C4'-C3' 111.335 -2.777 OUTLIER-DELTA 0.026 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 0 O4'-C1'-N19 111.173 2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . 0.427 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.297 -2.403 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.118 2.918 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.269 4.069 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C4'-C3'-C2' 99.357 -3.343 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 111.742 3.542 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 111.722 3.522 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 113.355 5.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.427 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 C4'-C3'-C2' 99.119 -3.581 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.427 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 103.965 2.739 . 0.015 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.693 4.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.435 1 C5'-C4'-C3' 108.934 -4.377 . 0.061 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.799 3.599 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 111.722 -2.518 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 2 C4'-C3'-C2' 98.399 -4.301 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 112.07 3.87 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 O4'-C1'-N19 111.319 3.119 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 O4'-C1'-N19 112.284 4.084 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . 0.422 ' C2 ' HD23 ' B' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C4'-C3'-O3' 120.254 3.713 OUTLIER-EPSILON 0.644 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 1 P-O3'-C3' 126.879 5.983 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 110.856 2.656 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C5'-C4'-C3' 111.193 -2.871 . 0.373 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.403 " H4'" ' CD1' ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O5'-C5'-C4' 116.336 4.383 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C5'-C4'-C3' 111.402 -2.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 1 O4'-C1'-N19 112.46 4.26 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 111.6 -2.6 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C5'-C4'-C3' 111.768 -2.488 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 1 O4'-C1'-N19 113.394 5.194 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 1 O4'-C1'-N19 113.497 5.297 . 0.043 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 112.077 3.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 0 C4'-C3'-C2' 99.639 -3.061 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 111.364 3.164 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.59 3.39 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.737 -2.509 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C4'-C3'-C2' 99.629 -3.071 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O5'-C5'-C4' 114.684 3.203 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 0 C5'-C4'-C3' 111.231 -2.846 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 C5'-C4'-C3' 105.953 -6.365 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 1 P-O3'-C3' 126.146 5.372 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 110.922 2.722 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 1 O4'-C1'-N19 112.363 4.163 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.306 3.106 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C4'-C3'-C2' 100.524 -2.176 . 0.642 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 113.48 25.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.137 0.88 . . . . 0.0 109.844 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.46 138.66 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.876 0.87 . . . . 0.0 110.05 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.2 mt -135.09 158.28 44.77 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.618 1.167 . . . . 0.0 109.831 173.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.7 m -126.81 118.02 23.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.821 0.848 . . . . 0.0 109.225 -173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -130.76 138.7 50.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.947 0.499 . . . . 0.0 111.399 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 158.94 18.59 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 168.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' HA2' ' A' ' 24' ' ' GLY . 70.1 t -43.28 127.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 111.146 174.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.7 -5.71 56.9 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.358 0.98 . . . . 0.0 114.584 174.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -92.82 165.55 12.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.973 1.386 . . . . 0.0 112.268 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.56 146.18 47.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.3 mm -110.41 157.4 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.366 1.466 . . . . 0.0 110.053 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.64 139.46 51.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.485 1.114 . . . . 0.0 110.142 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mt -133.72 128.75 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.152 0.981 . . . . 0.0 109.558 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.84 -128.75 32.23 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -123.86 -1.71 8.35 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.735 0.814 . . . . 0.0 112.498 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.76 -19.31 1.36 Allowed 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -169.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.16 132.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 119.188 0.904 . . . . 0.0 110.392 -172.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -127.08 142.09 51.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.749 0.82 . . . . 0.0 109.641 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -123.4 143.79 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.827 1.251 . . . . 0.0 108.335 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -139.29 135.76 34.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.477 0.58 . . . . 0.0 110.237 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.03 100.08 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.66 -30.26 62.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.99 -0.444 . . . . 0.0 110.215 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.77 -173.06 43.35 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 117.709 0.232 . . . . 0.0 113.497 169.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.84 156.29 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.8 0.84 . . . . 0.0 111.658 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -141.74 62.33 1.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.382 1.073 . . . . 0.0 109.976 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.54 -116.71 4.99 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.29 -14.98 58.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.28 0.632 . . . . 0.0 112.446 -175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -101.17 153.6 19.46 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.982 0.896 . . . . 0.0 112.644 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -132.37 117.3 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.937 1.695 . . . . 0.0 107.868 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -91.82 101.97 14.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.079 0.466 . . . . 0.0 110.046 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.81 133.42 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.881 1.272 . . . . 0.0 109.258 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.21 138.18 13.96 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.718 0.675 . . . . 0.0 111.454 170.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -111.94 130.61 65.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.365 1.466 . . . . 0.0 108.105 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -119.35 74.96 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.297 1.039 . . . . 0.0 109.1 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.37 153.83 40.2 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.191 1.396 . . . . 0.0 110.614 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.99 153.54 57.86 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.491 2.127 . . . . 0.0 110.405 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -68.0 -4.32 12.9 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.63 -22.95 63.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 112.29 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.91 144.08 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.803 0.811 . . . . 0.0 111.685 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.08 30.91 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.157 0.983 . . . . 0.0 110.842 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 129.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.699 0.4 . . . . 0.0 110.743 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -153.29 174.49 14.23 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.031 0.932 . . . . 0.0 110.762 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -108.1 164.78 11.99 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.704 0.402 . . . . 0.0 111.657 169.144 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.23 -24.43 67.34 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.22 -13.91 62.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.703 0.801 . . . . 0.0 111.902 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.16 -28.81 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.578 1.151 . . . . 0.0 110.907 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.94 -31.89 73.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.391 -0.818 . . . . 0.0 110.678 -174.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.22 -16.67 60.96 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.656 0.782 . . . . 0.0 111.67 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.28 -34.95 48.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 110.951 169.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.7 -51.61 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.615 0.766 . . . . 0.0 109.229 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -84.08 5.13 27.17 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.76 0.824 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.46 67.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.869 0.468 . . . . 0.0 111.947 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.41 -9.44 0.93 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 123.996 0.808 . . . . 0.0 113.126 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.7 pp -95.19 90.85 6.03 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.287 1.041 . . . . 0.0 111.123 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -118.44 155.14 31.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.614 -0.679 . . . . 0.0 111.049 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 151.11 83.02 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.707 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.11 -24.42 58.26 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.367 2.711 . . . . 0.0 113.553 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 122.718 0.407 . . . . 0.0 111.684 -169.703 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.7 122.55 44.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 168.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -118.99 140.09 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.937 0.495 . . . . 0.0 111.968 -164.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.433 HD23 ' C2 ' ' G' ' 48' ' ' ' A' . 94.1 mt -141.55 135.28 29.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.381 1.072 . . . . 0.0 111.079 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.0 p -86.83 125.32 33.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 166.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.2 OUTLIER -122.47 121.77 37.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.003 -178.08 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -74.42 155.25 38.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.867 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 24.5 m -63.32 124.63 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.852 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.55 56.71 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 118.926 -0.93 . . . . 0.0 115.031 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -90.88 166.57 13.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 119.05 1.425 . . . . 0.0 111.755 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -129.26 157.58 41.47 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.704 0.802 . . . . 0.0 113.026 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 22.6 mt -132.76 155.24 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.24 1.816 . . . . 0.0 109.532 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.23 139.0 40.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.922 -171.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.03 126.61 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.327 1.051 . . . . 0.0 109.462 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.01 52.2 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.03 4.91 5.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.809 0.844 . . . . 0.0 112.869 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -111.08 -22.1 11.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.71 137.76 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.983 0.81 . . . . 0.0 111.51 -169.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.54 152.19 51.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.016 1.326 . . . . 0.0 109.732 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -129.92 146.36 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.246 1.818 . . . . 0.0 107.737 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -139.32 133.58 31.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.669 0.388 . . . . 0.0 110.07 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.65 98.97 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.445 HD22 ' C2 ' ' G' ' 30' ' ' ' C' . 33.1 mt -69.07 -32.81 72.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 122.097 -0.377 . . . . 0.0 111.283 -175.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.05 -174.09 37.6 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 122.134 -0.079 . . . . 0.0 113.138 169.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.39 154.23 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.187 0.595 . . . . 0.0 110.912 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -138.3 77.81 1.65 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.732 1.213 . . . . 0.0 108.507 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.58 -115.9 4.25 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.71 15.12 23.92 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.078 0.439 . . . . 0.0 111.494 169.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -99.02 156.43 16.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.789 1.235 . . . . 0.0 109.962 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -140.31 119.86 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.782 0.833 . . . . 0.0 109.131 -168.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.52 119.21 30.6 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.935 1.294 . . . . 0.0 109.27 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.02 133.61 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.062 0.945 . . . . 0.0 110.377 -169.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.59 143.9 16.73 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 123.818 0.723 . . . . 0.0 112.204 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mt -125.98 129.73 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.231 1.012 . . . . 0.0 109.3 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -130.29 74.98 1.62 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.556 -168.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.49 48.27 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.416 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.84 156.6 37.37 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.779 1.653 . . . . 0.0 110.176 169.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -0.92 19.66 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 121.742 0.782 . . . . 0.0 111.04 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -22.82 66.57 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.837 1.655 . . . . 0.0 111.743 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.75 144.08 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.237 1.015 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 141.88 29.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.509 0.671 . . . . 0.0 111.602 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -141.98 95.4 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.053 -166.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.1 159.62 43.38 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 121.953 -0.467 . . . . 0.0 112.049 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.9 ptt-85 -67.15 160.54 26.62 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.169 0.588 . . . . 0.0 111.884 170.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -57.15 -41.08 78.47 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.217 0.607 . . . . 0.0 112.436 -172.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.07 -1.81 11.01 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -106.13 -51.67 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.279 1.031 . . . . 0.0 109.57 169.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -50.61 -37.11 38.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.452 1.501 . . . . 0.0 112.276 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.95 -21.81 63.23 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.97 -39.86 25.36 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.588 0.631 . . . . 0.0 110.683 170.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 99.7 mt -65.0 -39.04 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -80.4 5.04 16.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 173.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.66 -17.67 43.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.281 0.633 . . . . 0.0 112.075 169.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.51 47.36 0.09 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-O 119.526 -0.597 . . . . 0.0 114.417 169.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.94 -176.38 2.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.761 0.781 . . . . 0.0 112.882 -168.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -128.94 175.58 8.55 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.437 1.495 . . . . 0.0 109.016 167.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.95 118.46 0.67 Allowed Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.88 1.672 . . . . 0.0 113.282 -176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 41.5 Cg_exo -67.9 151.95 77.63 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.483 2.122 . . . . 0.0 112.987 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 124.032 0.933 . . . . 0.0 112.686 167.384 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 110.2 18.07 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.566 1.547 . . . . 0.0 106.945 164.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.31 136.17 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 124.171 0.988 . . . . 0.0 110.111 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.205 1.002 . . . . 0.0 109.549 169.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -94.89 147.26 23.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.014 0.526 . . . . 0.0 110.248 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 150.9 36.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.668 0.787 . . . . 0.0 111.374 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -85.36 156.13 21.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.195 0.998 . . . . 0.0 108.826 169.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.86 141.19 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 119.211 0.914 . . . . 0.0 111.686 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.42 -3.24 86.81 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.677 1.132 . . . . 0.0 114.743 -174.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.59 -176.08 6.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.712 1.756 . . . . 0.0 113.306 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -140.72 147.42 39.16 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 125.256 1.423 . . . . 0.0 112.318 -166.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' D' ' 44' ' ' ARG . 31.3 mm -144.15 153.92 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 126.996 2.118 . . . . 0.0 107.529 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.38 147.07 51.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.256 -0.902 . . . . 0.0 112.044 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -135.12 134.57 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.585 1.154 . . . . 0.0 109.221 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -140.17 46.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.789 0.709 . . . . 0.0 111.7 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -120.14 9.97 11.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.302 1.041 . . . . 0.0 111.35 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -127.89 -14.95 4.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 112.936 -170.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.38 136.55 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 118.614 0.643 . . . . 0.0 110.826 -172.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -126.16 138.93 53.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.571 1.148 . . . . 0.0 108.972 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.21 138.91 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -129.0 142.67 50.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.128 0.971 . . . . 0.0 109.45 -172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -103.08 129.59 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.47 -38.47 7.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.27 176.86 39.0 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.506 -0.378 . . . . 0.0 114.042 166.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.01 147.62 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.262 169.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -144.54 98.61 3.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.902 1.281 . . . . 0.0 107.862 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.84 -140.88 23.77 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.828 -169.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.76 5.67 24.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.963 0.905 . . . . 0.0 110.423 168.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.93 145.56 24.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.405 HG11 HG11 ' D' ' 30' ' ' VAL . 43.8 t -136.35 113.31 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -172.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -83.48 111.75 19.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.8 138.34 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.04 1.736 . . . . 0.0 109.114 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.42 139.9 14.66 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.022 0.82 . . . . 0.0 111.288 170.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.4 122.12 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.899 0.88 . . . . 0.0 108.815 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -123.28 93.05 3.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.942 0.497 . . . . 0.0 110.227 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.89 156.95 79.52 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.63 1.172 . . . . 0.0 110.057 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.38 152.39 77.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.654 2.236 . . . . 0.0 111.152 171.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.7 -0.92 3.24 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.369 0.668 . . . . 0.0 112.606 172.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.93 -22.21 66.48 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.277 1.031 . . . . 0.0 111.23 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.52 146.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.305 1.042 . . . . 0.0 110.517 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.34 156.99 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.577 0.351 . . . . 0.0 111.28 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.36 132.71 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 123.264 0.626 . . . . 0.0 109.666 172.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.17 165.16 36.75 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.145 0.578 . . . . 0.0 112.427 -173.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -69.63 155.14 40.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 166.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -60.11 -35.13 74.55 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.484 0.584 . . . . 0.0 111.599 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.22 -16.93 61.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.32 -35.15 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.886 0.874 . . . . 0.0 110.848 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -52.79 -35.27 56.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.68 1.192 . . . . 0.0 112.28 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.34 -27.46 65.94 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.8 0.84 . . . . 0.0 112.402 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -69.96 -40.32 75.48 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.584 0.753 . . . . 0.0 111.79 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.41 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -67.36 -21.02 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -95.81 2.03 53.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.705 1.202 . . . . 0.0 113.051 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 4.09 3.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.87 20.13 3.86 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.136 0.875 . . . . 0.0 113.137 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.76 -6.37 37.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.754 0.822 . . . . 0.0 112.903 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -67.14 -15.4 63.69 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.276 1.03 . . . . 0.0 112.616 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.8 139.06 34.25 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.974 0.909 . . . . 0.0 110.378 169.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -65.96 175.95 4.19 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.758 2.305 . . . . 0.0 112.881 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 N--CA 1.455 -0.195 0 C-N-CA 124.131 0.972 . . . . 0.0 112.843 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.547 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -122.74 110.34 15.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.583 1.953 . . . . 0.0 106.986 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.56 142.93 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.597 1.159 . . . . 0.0 109.749 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.4 136.78 18.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.9 1.28 . . . . 0.0 109.849 -168.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.4 p -97.48 133.98 41.33 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.425 0.557 . . . . 0.0 109.727 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -126.26 154.28 43.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 167.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.2 154.96 18.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.404 171.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.14 125.95 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.158 0.504 . . . . 0.0 111.053 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.67 -5.5 67.0 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.132 0.872 . . . . 0.0 113.908 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.21 170.46 10.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.65 1.225 . . . . 0.0 111.808 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -132.11 158.77 40.75 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.12 158.1 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 128.045 2.538 . . . . 0.0 107.899 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -131.92 153.0 50.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.051 -1.031 . . . . 0.0 111.329 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -134.18 135.98 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.94 1.296 . . . . 0.0 109.323 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -136.61 49.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.14 9.62 8.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.086 0.954 . . . . 0.0 111.762 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.05 -12.18 1.94 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -171.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.73 132.8 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 118.906 0.775 . . . . 0.0 110.524 -171.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -119.26 148.96 42.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.149 0.98 . . . . 0.0 110.062 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -130.49 142.64 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.727 1.611 . . . . 0.0 107.973 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 56.9 m -138.45 130.48 28.36 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ILE . . . . . 0.435 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.25 106.29 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 172.572 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.91 -35.54 57.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.728 -0.608 . . . . 0.0 111.007 -168.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.22 -173.83 44.82 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.268 0.461 . . . . 0.0 112.311 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.99 158.92 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.16 0.584 . . . . 0.0 110.761 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -143.24 75.12 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.763 0.825 . . . . 0.0 108.999 172.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.94 -113.14 3.65 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.82 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.31 -6.31 57.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.73 0.812 . . . . 0.0 110.585 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -85.26 158.56 20.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.935 0.874 . . . . 0.0 113.118 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.435 HG13 HD11 ' D' ' 22' ' ' ILE . 18.9 t -128.91 123.58 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.869 167.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -92.36 116.94 29.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -125.99 131.98 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.249 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.3 134.6 11.82 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 124.047 0.832 . . . . 0.0 111.092 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.04 140.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.36 1.064 . . . . 0.0 108.826 173.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -138.08 90.01 2.44 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.614 0.765 . . . . 0.0 109.708 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.61 158.63 46.72 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.602 1.161 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.55 150.91 87.31 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.047 1.831 . . . . 0.0 110.619 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -67.63 -0.97 4.41 Favored 'General case' 0 CA--C 1.526 0.03 0 C-N-CA 123.33 0.652 . . . . 0.0 112.719 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -69.76 -18.96 63.53 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.91 1.284 . . . . 0.0 112.0 168.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.59 160.11 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.158 0.983 . . . . 0.0 110.83 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.17 157.02 16.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.536 0.734 . . . . 0.0 112.596 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.09 127.44 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -152.5 173.38 15.21 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 123.521 0.729 . . . . 0.0 112.4 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ARG . . . . . 0.517 ' HA ' HD13 ' C' ' 12' ' ' ILE . 9.5 mtp-105 -71.78 163.94 26.89 Favored 'General case' 0 C--O 1.227 -0.115 0 O-C-N 122.091 -0.381 . . . . 0.0 110.341 168.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.59 -40.0 93.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.028 0.531 . . . . 0.0 111.774 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.32 -26.36 67.27 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.41 -44.81 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.6 0.76 . . . . 0.0 109.945 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -48.83 -34.91 13.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.469 1.908 . . . . 0.0 113.002 -176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.92 -21.02 66.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.739 0.816 . . . . 0.0 113.004 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -46.2 14.01 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.958 0.903 . . . . 0.0 109.453 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.727 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.3 mp -59.6 -18.81 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 126.108 1.763 . . . . 0.0 111.24 173.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.86 -23.93 14.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.01 -22.57 10.97 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.22 -6.24 0.18 Allowed Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.028 0.823 . . . . 0.0 113.319 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.99 55.72 5.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 127.295 2.238 . . . . 0.0 112.006 169.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 52.5 p -72.36 -34.92 68.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.448 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.84 82.78 54.66 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 125.091 1.356 . . . . 0.0 108.224 169.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -55.17 168.45 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 124.2 3.267 . . . . 0.0 114.25 -169.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 124.376 1.07 . . . . 0.0 113.257 179.261 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tt -105.93 118.78 37.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.341 0.657 . . . . 0.0 110.983 -168.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.2 135.69 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.041 0.936 . . . . 0.0 109.408 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -132.04 164.53 26.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.564 1.546 . . . . 0.0 110.553 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.84 100.79 4.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 167.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -113.26 141.3 47.15 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.531 1.132 . . . . 0.0 110.272 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -97.61 168.16 10.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.54 135.13 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.321 -169.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -4.06 82.11 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.129 0.871 . . . . 0.0 114.219 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -92.03 164.02 13.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.779 1.29 . . . . 0.0 111.495 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -130.39 158.63 39.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -169.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' E' ' 6' ' ' ARG . 25.0 mt -142.08 156.33 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.264 1.826 . . . . 0.0 108.076 -174.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.23 148.24 47.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.557 -0.714 . . . . 0.0 112.789 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -137.16 137.76 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.693 1.197 . . . . 0.0 109.026 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -136.85 50.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.22 9.99 6.79 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.919 0.888 . . . . 0.0 112.477 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.54 -12.17 4.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.48 135.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 119.204 0.911 . . . . 0.0 111.121 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -128.12 143.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.555 1.142 . . . . 0.0 109.962 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.29 143.31 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.34 1.456 . . . . 0.0 108.239 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -138.26 129.32 27.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.932 0.493 . . . . 0.0 110.074 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -77.44 109.76 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 169.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.99 -27.21 39.65 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.988 -0.445 . . . . 0.0 111.075 -175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -174.27 33.42 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.454 0.549 . . . . 0.0 113.296 169.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.44 157.79 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.582 0.753 . . . . 0.0 111.928 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -149.61 89.94 1.67 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.764 1.225 . . . . 0.0 109.28 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.24 -116.06 5.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -173.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.64 -20.69 22.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.409 0.605 . . . . 0.0 111.556 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -74.56 141.81 44.74 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.215 0.531 . . . . 0.0 110.065 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.13 117.63 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -85.25 127.24 34.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.8 135.46 55.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.216 -168.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 140.03 15.22 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 124.504 1.05 . . . . 0.0 111.334 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.96 124.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.59 1.156 . . . . 0.0 109.162 -177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -124.68 98.97 5.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.5 155.31 75.46 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.585 1.154 . . . . 0.0 110.309 177.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.31 159.82 37.9 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.974 2.449 . . . . 0.0 112.153 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -73.45 -0.88 16.22 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.54 -20.66 66.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.084 0.954 . . . . 0.0 111.506 168.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -126.12 160.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.264 1.026 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 159.18 15.07 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 129.13 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.234 0.614 . . . . 0.0 110.373 169.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -151.3 169.45 21.92 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.204 1.002 . . . . 0.0 110.978 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -77.61 166.65 22.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.77 -0.581 . . . . 0.0 109.637 168.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -30.22 61.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.08 -33.9 76.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.016 0.927 . . . . 0.0 111.417 -175.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.91 -38.55 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.727 0.811 . . . . 0.0 109.102 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 48' ' ' TYR . . . . . 0.473 ' HA ' HG12 ' E' ' 51' ' ' ILE . 70.5 t80 -55.42 -35.1 65.02 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.557 0.743 . . . . 0.0 112.725 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -65.8 -21.96 66.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.651 0.781 . . . . 0.0 112.388 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -83.89 -26.67 29.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.477 0.711 . . . . 0.0 110.924 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' E' ' 48' ' ' TYR . 4.2 mm -66.83 -56.75 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.613 0.765 . . . . 0.0 109.464 173.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -76.96 2.95 13.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.628 0.771 . . . . 0.0 112.503 -170.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.33 67.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.995 0.918 . . . . 0.0 112.817 170.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.56 30.69 0.03 OUTLIER Glycine 0 C--N 1.338 0.688 0 N-CA-C 114.746 0.658 . . . . 0.0 114.746 169.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -159.21 -172.78 3.89 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 111.335 -169.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 9.7 m -123.21 -29.96 3.79 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.174 0.59 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.82 126.6 26.02 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.588 0.755 . . . . 0.0 110.13 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -52.46 142.15 49.19 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.491 2.794 . . . . 0.0 113.324 174.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t0 . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 125.238 1.415 . . . . 0.0 112.829 175.558 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.1 149.27 21.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.125 -0.36 . . . . 0.0 111.437 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.21 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 124.088 0.955 . . . . 0.0 108.703 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -131.88 162.24 31.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.749 1.219 . . . . 0.0 109.778 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.37 97.05 4.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 168.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.451 ' HG3' HD11 ' F' ' 12' ' ' ILE . 5.2 mmp_? -110.94 142.19 43.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.481 1.112 . . . . 0.0 110.316 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -96.37 168.67 10.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.32 137.6 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.374 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -4.89 82.13 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.086 0.85 . . . . 0.0 114.106 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.5 171.56 8.83 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.744 1.272 . . . . 0.0 111.919 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 24.7 m -135.25 158.46 44.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.606 0.717 . . . . 0.0 112.362 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.451 HD11 ' HG3' ' F' ' 6' ' ' ARG . 21.6 mt -143.2 153.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.241 1.417 . . . . 0.0 107.965 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -135.02 153.06 52.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.771 0.796 . . . . 0.0 112.246 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.32 139.69 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.347 1.459 . . . . 0.0 109.667 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.07 -138.19 47.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -121.52 9.59 10.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.086 0.954 . . . . 0.0 111.776 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.07 -13.9 0.91 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.24 133.84 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 119.124 0.875 . . . . 0.0 110.679 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -129.2 144.31 51.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.009 0.924 . . . . 0.0 110.568 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -124.75 142.19 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.36 1.864 . . . . 0.0 108.272 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.63 129.04 32.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 109.885 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.8 109.36 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -82.13 -27.45 32.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.56 0.744 . . . . 0.0 110.987 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.48 -173.16 34.29 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.282 0.468 . . . . 0.0 113.363 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.69 158.95 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.418 0.687 . . . . 0.0 112.153 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -149.8 91.8 1.84 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.837 1.255 . . . . 0.0 109.122 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.72 -103.06 1.28 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.842 -0.536 . . . . 0.0 111.933 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.46 -19.7 15.44 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 117.448 0.624 . . . . 0.0 112.196 170.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.5 140.62 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t -130.49 115.31 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -87.19 127.17 35.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.541 0.736 . . . . 0.0 109.149 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.43 141.42 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 124.047 0.939 . . . . 0.0 110.445 -167.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.23 140.43 16.33 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.059 0.838 . . . . 0.0 111.075 171.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -129.35 136.7 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.186 0.994 . . . . 0.0 109.43 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -130.43 109.65 10.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.909 0.884 . . . . 0.0 109.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.62 157.79 76.51 Favored Pre-proline 0 N--CA 1.454 -0.252 0 C-N-CA 123.779 0.831 . . . . 0.0 111.027 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.74 159.84 43.42 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.814 2.343 . . . . 0.0 112.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.35 -11.72 35.21 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 172.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.91 -15.65 61.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.961 1.304 . . . . 0.0 112.594 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.74 165.28 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.762 0.825 . . . . 0.0 111.156 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 159.78 14.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.113 0.565 . . . . 0.0 111.607 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.0 122.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.475 0.71 . . . . 0.0 110.059 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -153.61 174.19 14.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.106 0.962 . . . . 0.0 110.188 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.1 162.49 25.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.889 -0.507 . . . . 0.0 110.127 168.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.32 -25.2 67.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.99 0.516 . . . . 0.0 112.279 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -58.51 -43.61 89.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.976 0.911 . . . . 0.0 111.775 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.11 -29.93 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.486 0.714 . . . . 0.0 109.616 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.485 ' HA ' HG12 ' F' ' 51' ' ' ILE . 72.1 t80 -51.91 -34.08 39.85 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.022 0.929 . . . . 0.0 112.649 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -66.02 -23.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.66 -0.65 . . . . 0.0 112.431 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -83.88 -27.57 28.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.505 0.722 . . . . 0.0 111.064 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.485 HG12 ' HA ' ' F' ' 48' ' ' TYR . 5.4 mm -63.54 -48.13 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.375 1.07 . . . . 0.0 109.815 171.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -83.72 3.01 35.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.756 1.222 . . . . 0.0 112.346 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.58 11.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.117 0.967 . . . . 0.0 113.463 176.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.23 29.65 0.65 Allowed Glycine 0 CA--C 1.525 0.665 0 CA-C-O 119.14 -0.811 . . . . 0.0 114.004 169.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.02 -57.76 0.55 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.341 1.07 . . . . 0.0 113.808 -170.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m 41.29 42.13 1.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.73 1.212 . . . . 0.0 112.341 -168.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.05 132.46 5.63 Favored Pre-proline 0 N--CA 1.452 -0.363 0 C-N-CA 124.675 1.19 . . . . 0.0 109.419 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.55 -177.58 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.759 2.306 . . . . 0.0 113.303 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 124.069 0.948 . . . . 0.0 112.097 174.659 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C5'-C4'-C3' 110.967 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C4'-C3'-C2' 99.491 -3.209 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 O4'-C1'-N19 112.479 4.279 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 112.042 3.842 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.105 2.905 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C5'-C4'-O4' 114.161 3.544 . 0.097 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 C5'-C4'-C3' 109.071 -4.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.243 3.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 O5'-C5'-C4' 113.351 2.251 . 0.015 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 1 C5'-C4'-C3' 109.396 -4.07 . 0.155 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O5'-C5'-C4' 114.484 3.06 . 0.02 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C4'-C3' 107.991 1.779 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 C5'-C4'-C3' 108.386 -4.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 99.76 -2.94 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.604 3.404 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 O4'-C1'-N19 111.059 2.859 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 C4'-C3'-C2' 100.252 -2.448 . 0.389 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.532 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 1 C1'-O4'-C4' 104.762 -5.375 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 1 O4'-C1'-N19 113.148 4.948 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.908 4.708 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C4'-C3'-C2' 100.03 -2.67 . 0.376 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 O4'-C1'-N19 112.51 4.31 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.986 3.786 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 N19-C1'-C2' 109.175 -2.641 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O4'-C1'-N19 111.462 3.262 . 0.622 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C4'-C3' 109.007 2.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 111.904 -2.397 . 0.101 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.722 " H2'" H5'' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.776 -3.149 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . 0.722 H5'' " H2'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O5'-C5'-C4' 117.197 4.998 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 P-O3'-C3' 126.853 5.961 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 O4'-C1'-N19 111.319 3.119 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.514 4.314 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.153 -3.547 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C4'-C3'-C2' 99.255 -3.445 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 112.162 3.962 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 113.679 5.479 . 0.135 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.473 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.325 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.473 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 P-O3'-C3' 122.005 1.921 . 0.1 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 1 O4'-C1'-N19 112.672 4.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 C5'-C4'-C3' 109.37 -4.087 . 0.091 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 2 O4'-C1'-N19 114.424 6.224 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 1 C5'-C4'-C3' 109.47 -4.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.806 3.606 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 O4'-C1'-N19 112.438 4.238 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.191 2.991 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 1 O4'-C1'-N19 112.374 4.174 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . 0.433 ' C2 ' HD23 ' B' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 104.948 3.831 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.373 -3.327 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C5'-C4'-C3' 111.086 -2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C5'-C4'-C3' 111.249 -2.834 . 0.427 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 O5'-C5'-C4' 117.089 4.921 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 111.838 -2.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.371 4.171 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C4'-C3'-C2' 100.224 -2.476 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.301 3.101 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 O4'-C1'-N19 112.978 4.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 1 O4'-C1'-N19 113.653 5.453 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C5'-C4'-C3' 109.602 -3.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 O4'-C1'-N19 111.72 3.52 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.234 3.034 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 C3'-C2'-C1' 105.408 4.343 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-O4' 114.348 3.677 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 P-O3'-C3' 123.689 3.324 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 110.464 2.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 C5'-C4'-C3' 111.673 -2.551 . 0.161 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 2 C5'-C4'-C3' 105.691 -6.539 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 1 P-O3'-C3' 125.615 4.929 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 100.194 -2.506 . 0.931 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.219 4.019 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.519 3.319 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.983 3.87 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.774 -0.631 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 112.62 25.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.948 0.794 . . . . 0.0 109.618 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.21 138.63 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.801 0.84 . . . . 0.0 109.459 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -135.05 154.7 51.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.989 0.916 . . . . 0.0 109.922 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.0 m -117.91 101.44 8.29 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.479 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.489 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -107.29 139.07 42.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.068 0.947 . . . . 0.0 110.927 -168.523 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -103.73 156.33 17.89 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.149 0.431 . . . . 0.0 110.608 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.05 124.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.571 0.748 . . . . 0.0 110.917 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.87 -5.18 72.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.214 0.911 . . . . 0.0 114.447 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.39 166.9 11.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.643 1.221 . . . . 0.0 111.301 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -137.2 148.99 46.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -168.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.489 HD11 ' HD2' ' A' ' 6' ' ' ARG . 31.8 mm -109.5 155.46 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.7 1.6 . . . . 0.0 109.652 169.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -127.43 138.33 52.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.656 1.182 . . . . 0.0 109.879 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mt -134.11 131.54 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.159 0.983 . . . . 0.0 109.474 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.64 -128.96 30.21 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -127.1 -0.27 6.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.911 0.885 . . . . 0.0 112.364 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -135.7 -17.76 1.69 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 139.03 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.697 0.68 . . . . 0.0 110.282 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 m -134.64 143.79 47.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.7 0.8 . . . . 0.0 109.185 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -125.8 138.8 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 108.204 -176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.6 m -134.12 132.89 40.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.293 0.497 . . . . 0.0 110.028 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -82.03 101.19 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 169.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.33 -30.29 63.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.104 -0.373 . . . . 0.0 110.17 -174.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.03 -176.78 43.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 113.73 0.252 . . . . 0.0 113.73 168.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.93 144.4 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.056 0.942 . . . . 0.0 111.044 -172.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -138.39 68.71 1.39 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.798 1.239 . . . . 0.0 109.898 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -118.05 6.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.85 -12.38 59.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.464 0.706 . . . . 0.0 112.149 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -105.55 149.79 25.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.822 0.82 . . . . 0.0 112.377 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.4 130.41 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 126.75 2.02 . . . . 0.0 108.202 -169.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -109.02 101.95 10.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.149 0.5 . . . . 0.0 110.702 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.66 135.38 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.429 1.491 . . . . 0.0 109.523 -172.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.33 137.91 14.23 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.772 0.701 . . . . 0.0 111.557 170.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.05 132.53 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.131 1.372 . . . . 0.0 108.377 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -118.9 76.89 1.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.697 1.199 . . . . 0.0 109.267 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 152.73 45.89 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.786 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.68 154.4 54.42 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.486 2.124 . . . . 0.0 110.474 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -68.01 -5.39 17.09 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.37 -25.59 65.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 0.0 112.274 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -115.18 144.0 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 121.899 0.857 . . . . 0.0 111.809 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.75 143.09 40.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.356 1.062 . . . . 0.0 111.503 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.26 120.35 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.525 0.73 . . . . 0.0 109.329 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -144.92 -175.96 4.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.293 1.037 . . . . 0.0 110.067 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 164.05 27.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.39 -34.26 68.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.41 1.484 . . . . 0.0 113.672 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -61.14 -19.91 62.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 112.296 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -122.3 -24.97 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 125.612 1.565 . . . . 0.0 110.792 -173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' HD12 ' A' ' 51' ' ' ILE . 48.4 t80 -61.83 -31.61 71.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.367 -0.833 . . . . 0.0 110.479 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -74.77 -19.18 60.32 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.054 0.942 . . . . 0.0 111.607 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.93 -37.35 40.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.266 1.026 . . . . 0.0 111.159 170.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 48' ' ' TYR . 74.2 mt -62.11 -50.77 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.677 0.791 . . . . 0.0 109.333 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -84.16 5.21 27.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.615 0.766 . . . . 0.0 112.721 -176.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.91 -23.34 67.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 169.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.94 -5.97 2.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.95 0.785 . . . . 0.0 113.297 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.5 pp -90.34 90.85 8.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.566 1.174 . . . . 0.0 111.716 -171.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -136.2 -15.46 1.71 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.056 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.2 153.88 92.3 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 123.49 0.716 . . . . 0.0 111.187 171.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.33 160.68 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.349 2.699 . . . . 0.0 111.824 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 t70 . . . . . 0 N--CA 1.453 -0.277 0 C-N-CA 125.168 1.387 . . . . 0.0 112.572 174.463 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.5 tpp . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -112.69 121.42 44.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.415 HD11 " H5'" ' G' ' 52' ' ' ' A' . 61.1 mt -117.05 140.13 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -165.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -135.26 135.09 40.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.64 1.176 . . . . 0.0 110.818 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -102.43 105.37 15.94 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' B' ' 12' ' ' ILE . 8.5 mmp_? -121.86 145.16 48.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.556 1.142 . . . . 0.0 111.274 -168.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -91.18 159.47 16.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.437 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.94 130.01 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.197 0.522 . . . . 0.0 110.551 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.99 -5.67 72.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.974 -0.903 . . . . 0.0 114.63 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -87.26 161.65 17.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.208 1.504 . . . . 0.0 111.705 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -128.07 153.2 47.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.739 0.816 . . . . 0.0 111.987 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' B' ' 6' ' ' ARG . 11.7 mt -132.76 155.16 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.167 1.387 . . . . 0.0 109.227 -175.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -135.09 130.16 35.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.066 0.546 . . . . 0.0 110.893 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.66 135.63 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 117.071 -1.443 . . . . 0.0 107.373 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 26.4 118.32 0.0 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 115.842 -2.644 . . . . 0.0 110.029 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.46 4.95 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 120.846 3.647 . . . . 0.0 120.846 -155.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.5 m-20 -86.63 -23.74 25.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.911 1.284 . . . . 0.0 112.175 163.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.78 141.13 27.01 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 121.405 1.911 . . . . 0.0 112.822 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.7 m -134.75 150.53 50.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.254 1.422 . . . . 0.0 109.458 168.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -127.79 148.48 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.506 1.522 . . . . 0.0 108.321 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -141.01 125.8 18.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.768 0.427 . . . . 0.0 110.557 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.42 113.42 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.68 -32.02 28.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.883 -0.511 . . . . 0.0 110.167 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.22 178.68 38.59 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 113.445 0.138 . . . . 0.0 113.445 170.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.3 152.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.202 0.601 . . . . 0.0 110.952 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -134.98 76.93 1.65 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.558 1.143 . . . . 0.0 108.542 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.9 -119.39 5.05 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -98.92 9.69 42.96 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.953 0.501 . . . . 0.0 110.704 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.96 151.37 20.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.334 1.054 . . . . 0.0 110.034 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 t -139.76 112.06 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.603 0.761 . . . . 0.0 109.147 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -90.99 113.22 25.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.135 1.374 . . . . 0.0 109.233 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.36 134.51 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.793 1.237 . . . . 0.0 110.479 -168.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.73 140.5 15.07 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.418 0.532 . . . . 0.0 111.804 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.401 HG21 HG11 ' B' ' 42' ' ' VAL . 44.1 mt -119.21 131.06 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.888 0.875 . . . . 0.0 109.25 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -130.72 74.98 1.63 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.166 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 156.32 51.98 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.043 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -56.95 153.59 37.17 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.517 1.478 . . . . 0.0 110.205 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -66.01 -0.72 2.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.272 0.629 . . . . 0.0 111.911 170.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.94 -31.08 71.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.994 1.717 . . . . 0.0 111.981 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.37 144.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.408 1.083 . . . . 0.0 110.326 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.44 141.92 30.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.635 0.731 . . . . 0.0 111.786 169.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.401 HG11 HG21 ' B' ' 34' ' ' ILE . 18.1 t -144.62 98.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.665 -166.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.45 159.35 43.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.826 -0.546 . . . . 0.0 111.754 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.5 ptt-85 -65.11 157.37 28.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.702 0.401 . . . . 0.0 111.212 169.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.62 -39.66 74.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.04 -5.92 24.88 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mm -101.44 -51.44 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.036 0.934 . . . . 0.0 109.812 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -50.84 -36.92 40.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.912 1.285 . . . . 0.0 112.198 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.42 -22.19 62.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -174.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -78.12 -42.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.91 0.777 . . . . 0.0 110.201 169.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.5 mt -63.96 -39.12 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.312 0.645 . . . . 0.0 109.262 -173.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -81.19 4.96 18.39 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.99 -19.85 43.12 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.177 0.591 . . . . 0.0 111.518 168.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.28 48.53 0.08 OUTLIER Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.987 169.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -176.39 2.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.732 0.766 . . . . 0.0 112.505 -168.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -128.05 -176.97 3.95 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.261 1.425 . . . . 0.0 109.577 168.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -40.96 123.38 1.97 Allowed Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.208 1.003 . . . . 0.0 111.536 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 58.7 Cg_exo -62.29 173.32 3.42 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.908 2.405 . . . . 0.0 114.33 -170.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.194 0.998 . . . . 0.0 112.181 176.619 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.358 -0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 112.21 25.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 168.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.03 135.04 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.857 0.863 . . . . 0.0 110.029 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.57 134.86 48.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.154 0.982 . . . . 0.0 109.803 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -88.79 139.71 30.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.491 HH21 ' HB ' ' C' ' 22' ' ' ILE . 6.1 mtm180 -131.22 164.01 26.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.348 0.659 . . . . 0.0 109.418 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 10.1 tptm -114.85 153.19 30.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.56 132.25 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-N 119.52 1.055 . . . . 0.0 111.893 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.55 -4.4 72.88 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.967 1.27 . . . . 0.0 114.651 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.38 173.21 12.58 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.791 1.795 . . . . 0.0 113.295 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -143.95 155.54 44.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.212 1.405 . . . . 0.0 111.032 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' D' ' 44' ' ' ARG . 39.7 mm -142.11 149.78 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 126.344 1.858 . . . . 0.0 108.41 -171.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.36 140.57 49.01 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.596 0.758 . . . . 0.0 110.855 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -126.65 130.0 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 108.295 170.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.06 -135.15 52.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -168.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -123.94 10.0 8.82 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.853 0.861 . . . . 0.0 111.145 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -123.75 -16.87 6.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.232 1.013 . . . . 0.0 112.98 -169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.7 137.84 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.442 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -125.43 138.68 54.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.588 1.155 . . . . 0.0 109.506 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mm -120.02 142.0 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.121 0.968 . . . . 0.0 108.848 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -135.7 137.62 41.95 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.286 0.635 . . . . 0.0 110.505 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.491 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.3 tp -95.61 122.11 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.475 HD13 " H1'" ' G' ' 67' ' ' ' C' . 8.9 mt -95.06 -37.41 11.11 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -177.27 43.65 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.004 -0.617 . . . . 0.0 114.291 168.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.53 148.36 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.574 0.75 . . . . 0.0 110.379 170.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.6 m -146.32 109.91 4.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.852 1.261 . . . . 0.0 107.939 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.65 -141.89 29.17 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.239 -169.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -86.96 6.03 34.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.796 0.838 . . . . 0.0 110.846 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.07 145.5 25.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.771 1.628 . . . . 0.0 111.105 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.47 126.02 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.877 0.871 . . . . 0.0 108.707 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -87.11 114.24 23.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -118.29 134.01 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 125.352 1.461 . . . . 0.0 108.845 -173.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.91 143.38 15.79 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.107 0.861 . . . . 0.0 111.836 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -131.25 122.15 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.747 1.219 . . . . 0.0 108.585 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -124.49 95.99 4.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.108 0.563 . . . . 0.0 110.18 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.83 158.15 76.13 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.467 1.107 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -62.19 152.54 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.625 2.217 . . . . 0.0 111.227 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.76 -0.87 2.39 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.482 0.713 . . . . 0.0 112.645 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.98 -22.31 66.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.276 1.031 . . . . 0.0 111.463 169.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.61 146.09 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.112 0.965 . . . . 0.0 110.522 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.13 155.48 23.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 122.695 0.398 . . . . 0.0 111.155 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.05 132.17 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -153.87 164.24 38.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.487 0.715 . . . . 0.0 111.261 -176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.662 HH21 HD22 ' D' ' 4' ' ' LEU . 7.7 ptp85 -81.9 158.57 23.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 166.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -60.12 -35.74 75.93 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -169.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.43 -14.47 61.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mm -97.34 -36.81 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.491 0.716 . . . . 0.0 110.634 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -51.29 -36.68 43.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.539 1.136 . . . . 0.0 112.655 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.4 -30.89 67.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 112.358 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -68.03 -36.76 80.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.572 0.749 . . . . 0.0 111.899 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.55 ' HA ' HD11 ' C' ' 55' ' ' LEU . 3.1 mp -70.05 -18.94 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 O-C-N 121.975 -0.453 . . . . 0.0 109.886 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -93.2 -0.44 56.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.309 0.643 . . . . 0.0 112.251 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.91 -11.28 26.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.438 1.095 . . . . 0.0 112.862 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 134.18 7.06 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.7 mm? -105.0 -48.67 3.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.076 0.55 . . . . 0.0 110.757 -168.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.6 p -86.88 -23.95 25.06 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.986 0.914 . . . . 0.0 111.866 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 87.42 15.88 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.301 1.041 . . . . 0.0 109.944 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.5 179.18 3.73 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.245 2.63 . . . . 0.0 113.124 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 N--CA 1.455 -0.212 0 C-N-CA 124.019 0.927 . . . . 0.0 112.579 176.156 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.461 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.14 117.99 31.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.445 1.898 . . . . 0.0 108.955 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.461 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -111.22 138.89 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.142 1.377 . . . . 0.0 109.892 -169.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 4' ' ' LEU . . . . . 0.662 HD22 HH21 ' C' ' 44' ' ' ARG . 64.7 mt -136.69 159.23 42.46 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.502 1.521 . . . . 0.0 111.758 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.76 111.19 18.77 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 166.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.91 148.05 42.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.975 0.51 . . . . 0.0 110.277 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.86 159.54 23.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.158 0.583 . . . . 0.0 110.285 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -55.76 134.37 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.877 0.471 . . . . 0.0 111.205 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -1.57 78.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.097 0.856 . . . . 0.0 114.299 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.97 171.92 8.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.817 1.309 . . . . 0.0 112.01 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -129.5 156.04 44.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.0 160.24 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 127.458 2.303 . . . . 0.0 108.6 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -139.87 151.19 45.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.919 0.887 . . . . 0.0 112.786 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.31 139.13 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.096 1.358 . . . . 0.0 109.1 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.67 -139.12 48.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.52 8.71 10.75 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.837 0.855 . . . . 0.0 111.721 170.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -131.66 -12.53 3.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.25 138.27 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 118.723 0.692 . . . . 0.0 110.728 -172.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -122.46 145.96 47.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.441 1.096 . . . . 0.0 109.669 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -128.49 138.83 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.327 1.451 . . . . 0.0 107.862 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -134.69 128.99 34.08 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -85.76 110.46 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -84.8 -28.42 26.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.343 0.657 . . . . 0.0 110.713 -171.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -172.66 38.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.416 0.531 . . . . 0.0 112.826 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.99 160.71 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.627 0.771 . . . . 0.0 111.328 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -143.63 75.77 1.49 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.946 0.899 . . . . 0.0 110.191 171.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -115.22 4.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.459 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mp0 -91.63 -4.45 55.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.269 0.628 . . . . 0.0 110.091 170.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -77.2 156.52 31.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.427 0.632 . . . . 0.0 112.581 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.51 123.39 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.077 1.351 . . . . 0.0 107.566 169.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.91 119.94 34.29 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.453 1.101 . . . . 0.0 108.452 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.51 131.57 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 111.259 -167.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.94 142.15 16.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.389 0.995 . . . . 0.0 111.367 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.74 138.57 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -138.06 89.94 2.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.83 155.18 63.9 Favored Pre-proline 0 N--CA 1.45 -0.446 0 C-N-CA 124.768 1.227 . . . . 0.0 109.645 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.31 150.12 86.28 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.052 1.835 . . . . 0.0 110.535 169.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.45 -0.97 5.58 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 175.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.59 -23.07 66.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.848 1.259 . . . . 0.0 111.576 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.43 157.65 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.164 0.986 . . . . 0.0 110.531 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.72 157.01 16.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.76 123.12 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.879 0.471 . . . . 0.0 109.921 168.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -147.54 163.01 37.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.673 0.789 . . . . 0.0 111.212 174.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' C' ' 12' ' ' ILE . 51.8 mtp85 -60.46 157.22 14.46 Favored 'General case' 0 C--O 1.227 -0.131 0 O-C-N 121.923 -0.485 . . . . 0.0 110.178 169.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.46 -33.62 68.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.077 0.399 . . . . 0.0 110.98 169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -57.79 -54.51 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.128 1.371 . . . . 0.0 111.806 171.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.23 -39.39 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.901 0.88 . . . . 0.0 110.312 -174.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -53.08 -39.21 63.17 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.351 1.46 . . . . 0.0 112.116 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.77 -25.45 64.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.44 1.096 . . . . 0.0 112.656 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.18 -41.92 63.31 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.169 0.587 . . . . 0.0 110.471 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.66 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.5 mp -71.03 -18.89 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.379 1.472 . . . . 0.0 109.76 177.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -92.06 -2.6 56.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 171.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.05 -47.96 3.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.111 0.964 . . . . 0.0 112.412 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.68 3.93 0.03 OUTLIER Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.136 -0.813 . . . . 0.0 114.539 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 67.62 174.21 0.27 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.983 1.713 . . . . 0.0 111.576 167.172 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -37.76 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 165.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.577 ' HB3' " H2'" ' G' ' 7' ' ' ' C' . . . -136.33 80.01 41.04 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 117.944 0.338 . . . . 0.0 110.502 -175.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -49.81 -36.11 41.55 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 124.614 3.542 . . . . 0.0 114.322 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.084 0.554 . . . . 0.0 111.591 -167.881 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 tt -136.8 120.18 16.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.987 1.315 . . . . 0.0 108.877 171.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.45 136.08 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.818 0.847 . . . . 0.0 109.762 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.25 165.01 22.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.548 1.539 . . . . 0.0 111.138 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 103.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 167.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -113.21 128.01 56.35 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.313 1.445 . . . . 0.0 109.894 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -87.15 164.82 16.17 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 119.402 1.001 . . . . 0.0 112.748 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -58.75 138.53 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.16 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.98 82.96 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 118.985 -0.897 . . . . 0.0 113.922 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -94.48 177.0 6.08 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.927 1.364 . . . . 0.0 112.109 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.3 m -134.28 158.47 43.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -169.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -139.96 158.3 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 126.99 2.116 . . . . 0.0 108.203 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -135.29 149.84 49.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -136.46 137.42 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.812 1.245 . . . . 0.0 108.947 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -138.28 49.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.51 5.2 10.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 111.744 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.4 -6.24 2.59 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.15 135.7 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.96 0.8 . . . . 0.0 110.762 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -126.86 140.77 52.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.442 1.097 . . . . 0.0 109.663 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -120.49 138.08 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.945 1.298 . . . . 0.0 108.328 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -133.27 125.09 28.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.113 0.565 . . . . 0.0 109.814 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.87 103.12 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.34 -29.92 60.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.032 -0.418 . . . . 0.0 111.018 -173.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.81 -174.93 34.47 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 123.049 0.357 . . . . 0.0 113.911 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.76 159.56 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.141 0.976 . . . . 0.0 111.926 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.94 89.96 1.65 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.699 1.199 . . . . 0.0 109.356 169.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.45 -102.96 1.34 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.754 -0.591 . . . . 0.0 111.884 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -100.04 -21.47 15.6 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 117.731 0.766 . . . . 0.0 111.71 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -70.29 144.25 51.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.52 116.01 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -89.37 125.16 35.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.462 HD12 HH11 ' F' ' 6' ' ' ARG . 1.4 mt -135.87 131.62 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.029 0.532 . . . . 0.0 110.493 -168.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.79 141.71 15.77 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 124.394 0.997 . . . . 0.0 111.473 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -133.19 121.01 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 108.749 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -120.76 99.3 6.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.24 0.616 . . . . 0.0 109.39 -172.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.72 155.17 75.16 Favored Pre-proline 0 N--CA 1.451 -0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 110.641 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.38 158.98 42.11 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.998 2.465 . . . . 0.0 112.183 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -72.46 -1.06 14.31 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 171.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.54 -21.79 66.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.235 1.014 . . . . 0.0 111.455 168.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -124.38 159.24 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.55 158.64 15.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.144 177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.05 125.34 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 122.977 0.511 . . . . 0.0 110.197 168.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -151.09 169.81 20.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.117 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -69.0 154.93 41.23 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -61.25 -26.72 67.95 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.85 -49.16 74.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.544 1.138 . . . . 0.0 111.548 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.74 -34.53 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.192 0.997 . . . . 0.0 110.141 -171.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.69 -35.6 61.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.562 1.145 . . . . 0.0 112.441 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -66.4 -28.73 68.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -73.51 -23.06 59.97 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.477 0.711 . . . . 0.0 110.957 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 80.7 mt -96.35 -35.27 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.328 1.451 . . . . 0.0 109.898 -172.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -81.17 3.09 24.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.642 0.777 . . . . 0.0 113.053 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.81 54.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.881 0.872 . . . . 0.0 113.331 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 38.72 0.09 OUTLIER Glycine 0 CA--C 1.525 0.676 0 CA-C-O 119.373 -0.682 . . . . 0.0 113.51 169.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.32 -41.59 0.09 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -169.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 45.46 42.54 7.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.863 1.265 . . . . 0.0 112.238 -169.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.05 129.31 4.43 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.106 0.962 . . . . 0.0 109.986 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.58 143.88 87.04 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.081 2.52 . . . . 0.0 113.352 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.53 0.192 0 C-N-CA 125.823 1.649 . . . . 0.0 113.753 171.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 2' ' ' LEU . . . . . 0.404 HD12 HG13 ' E' ' 42' ' ' VAL . 7.7 mt -94.52 149.06 21.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.916 -0.49 . . . . 0.0 111.641 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.433 HD11 H5'' ' G' ' 42' ' ' ' C' . 4.4 mp -129.73 134.42 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 168.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -129.05 160.43 32.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.895 1.278 . . . . 0.0 109.507 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.15 97.76 4.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.462 HH11 HD12 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -118.6 160.99 20.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.099 0.56 . . . . 0.0 111.094 172.494 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -106.29 175.91 5.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.347 0.659 . . . . 0.0 111.572 -170.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.97 137.5 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.122 0.487 . . . . 0.0 112.221 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.56 83.91 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.145 0.879 . . . . 0.0 115.086 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -83.74 170.26 14.38 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.091 1.445 . . . . 0.0 112.122 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -133.66 153.35 51.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.495 0.718 . . . . 0.0 112.627 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -136.05 157.2 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 126.622 1.969 . . . . 0.0 107.612 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -131.04 150.31 52.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.482 0.713 . . . . 0.0 112.07 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.74 142.67 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.777 1.231 . . . . 0.0 109.021 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.84 -139.42 48.6 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -120.57 10.07 11.0 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.278 1.031 . . . . 0.0 112.458 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.15 -22.36 1.17 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.0 138.44 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.52 1.054 . . . . 0.0 111.059 -169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -127.6 144.33 51.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 110.653 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -125.84 130.96 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.412 1.485 . . . . 0.0 108.665 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -130.23 129.71 43.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.485 0.714 . . . . 0.0 110.209 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -87.27 113.0 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.59 -32.06 32.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.741 0.416 . . . . 0.0 110.385 -176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.12 -175.31 34.61 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.193 0.425 . . . . 0.0 113.544 168.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.12 153.88 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.02 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -142.35 90.02 2.21 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.124 1.37 . . . . 0.0 109.012 169.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -102.98 1.14 Allowed Glycine 0 CA--C 1.525 0.686 0 O-C-N 121.845 -0.534 . . . . 0.0 111.93 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.91 -22.41 16.34 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.645 0.723 . . . . 0.0 111.963 170.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -71.82 141.07 49.65 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.071 0.463 . . . . 0.0 110.087 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -131.21 113.75 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -87.02 123.85 32.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.77 135.41 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.868 0.867 . . . . 0.0 109.994 -168.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.12 137.38 13.66 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.975 0.797 . . . . 0.0 111.122 170.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -124.93 138.22 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 109.098 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -132.7 106.06 7.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.392 0.677 . . . . 0.0 109.653 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.81 158.05 73.57 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.33 162.32 36.8 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.017 2.478 . . . . 0.0 112.19 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.88 -12.46 60.7 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.589 0.756 . . . . 0.0 112.759 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -65.19 -20.5 66.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.929 1.292 . . . . 0.0 112.602 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -127.75 163.06 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.761 0.824 . . . . 0.0 111.108 -176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.83 162.07 13.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.358 0.663 . . . . 0.0 111.279 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 127.73 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.472 0.709 . . . . 0.0 109.864 171.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -154.97 171.3 19.94 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 109.961 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 161.67 27.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.75 -0.594 . . . . 0.0 109.921 168.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.47 -25.77 68.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -42.5 79.68 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 0.0 111.734 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -89.97 -31.26 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.985 0.914 . . . . 0.0 109.967 -173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -52.65 -33.27 46.18 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.744 0.818 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -56.65 -21.82 30.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.978 1.711 . . . . 0.0 113.25 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 50' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' F' ' 53' ' ' ALA . 3.4 mpt_? -80.92 -44.71 17.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.128 0.571 . . . . 0.0 111.554 172.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.01 -63.07 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 C-N-CA 125.824 1.65 . . . . 0.0 113.772 -167.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 1.63 5.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.812 0.845 . . . . 0.0 112.406 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 53' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' F' ' 50' ' ' ARG . . . -75.03 -16.36 60.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.103 0.561 . . . . 0.0 111.918 169.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.87 0.24 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 123.732 0.682 . . . . 0.0 113.768 169.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.94 177.31 11.29 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 118.116 0.958 . . . . 0.0 111.64 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -132.25 -0.12 3.7 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.79 120.55 12.2 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.806 0.842 . . . . 0.0 110.071 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -62.61 172.67 4.29 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.987 2.458 . . . . 0.0 114.567 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t0 . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 124.638 1.175 . . . . 0.0 111.881 171.348 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.411 3.211 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.456 3.256 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.346 4.146 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.8 3.6 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.331 3.146 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.44 " H2'" ' C8 ' ' G' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C5'-C4'-C3' 109.885 -3.744 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.66 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.338 4.138 OUTLIER-EPSILON 0.014 7d . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . 0.44 ' C8 ' " H2'" ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 P-O3'-C3' 126.213 5.427 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O5'-C5'-C4' 113.284 2.203 . 0.032 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 104.819 3.688 . 0.087 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.412 3.212 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.523 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C5'-C4'-C3' 111.322 -2.785 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 108.391 -4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.936 -2.764 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.778 3.578 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 O4'-C1'-N19 111.057 2.857 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.665 4.465 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 111.09 -2.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 O4'-C1'-N19 113.628 5.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.436 4.236 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.362 4.162 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C5'-C4'-O4' 112.566 2.404 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 1 O4'-C1'-N19 112.59 4.39 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 O4'-C1'-N19 112.322 4.122 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 N19-C1'-C2' 108.918 -2.801 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 O4'-C1'-N19 111.188 2.988 . 0.575 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 111.723 -2.518 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.444 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 112.285 -2.144 . 0.064 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.444 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-C3' 111.636 -2.576 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 0 O4'-C1'-N19 111.076 2.876 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . 0.44 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C4'-C3'-C2' 99.871 -2.829 . 0.017 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.295 3.095 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.351 4.151 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 C4'-C3'-C2' 99.3 -3.4 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.142 2.942 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.231 4.031 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 C5'-C4'-C3' 110.843 -3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.401 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.035 -3.643 . 0.146 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.401 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 O5'-C5'-C4' 113.994 2.71 . 0.342 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 112.564 4.364 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 1 C5'-C4'-C3' 108.98 -4.346 . 0.046 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . 0.433 H5'' HD11 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 112.727 4.527 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 1 O4'-C1'-N19 112.617 4.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 O4'-C1'-N19 111.384 3.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.222 4.022 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 O4'-C1'-N19 111.405 3.205 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 O4'-C1'-N19 112.267 4.067 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C3'-C2'-C1' 104.698 3.553 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C4'-C3'-C2' 99.393 -3.307 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.333 3.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C5'-C4'-C3' 111.19 -2.873 . 0.459 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.415 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.344 1 O5'-C5'-C4' 117.306 5.076 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 112.034 -2.311 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 112.121 3.921 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 100.262 -2.438 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 110.909 2.709 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 1 O4'-C1'-N19 113.069 4.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 113.954 5.754 . 0.416 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.247 4.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 O4'-C1'-N19 111.623 3.423 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 111.831 3.631 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 O4'-C1'-N19 111.626 3.426 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 109.983 -3.678 . 0.502 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 C4'-C3'-C2' 99.362 -3.338 . 0.05 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 C5'-C4'-C3' 110.879 -3.081 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.475 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.317 2 C3'-C2'-C1' 97.45 -4.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C4'-C3'-C2' 99.99 -2.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 C5'-C4'-C3' 111.362 -2.758 . 0.923 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.016 3.816 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 O4'-C1'-N19 111.321 3.121 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 114.094 5.894 . 0.446 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 ttp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 111.6 23.53 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.607 0.639 . . . . 0.0 109.534 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.65 134.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.367 0.667 . . . . 0.0 109.222 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.4 mt -133.73 153.61 51.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.45 1.1 . . . . 0.0 109.536 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -119.4 100.89 7.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -96.01 166.15 11.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.075 0.55 . . . . 0.0 110.379 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 159.06 35.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.138 0.575 . . . . 0.0 109.464 169.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -46.33 120.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.414 0.686 . . . . 0.0 111.036 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -14.51 57.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.722 1.153 . . . . 0.0 114.183 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.72 165.46 18.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.333 1.567 . . . . 0.0 112.399 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.7 m -135.7 152.83 51.56 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.0 mm -114.74 155.3 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 125.73 1.612 . . . . 0.0 109.611 169.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.59 137.91 53.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.707 1.203 . . . . 0.0 109.963 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.78 125.97 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.117 0.967 . . . . 0.0 109.336 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.62 -128.94 35.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -129.53 5.0 5.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.848 0.859 . . . . 0.0 112.976 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -121.91 -28.98 4.36 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.38 134.7 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.817 0.735 . . . . 0.0 110.508 -170.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -129.49 141.53 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.762 0.825 . . . . 0.0 109.903 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -123.4 141.55 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.957 1.303 . . . . 0.0 108.279 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -137.46 136.68 37.99 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.22 100.8 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -26.33 58.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.792 -0.568 . . . . 0.0 111.248 -168.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.64 43.73 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 118.106 0.412 . . . . 0.0 113.646 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.76 151.07 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.801 0.84 . . . . 0.0 111.368 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -139.56 63.12 1.5 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.352 1.061 . . . . 0.0 110.096 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.17 -120.73 5.51 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' B' ' 7' ' ' LYS . 33.0 tt0 -82.12 -11.37 58.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.188 0.595 . . . . 0.0 112.299 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -101.21 149.12 24.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.896 0.855 . . . . 0.0 113.233 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.14 128.03 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 126.625 1.97 . . . . 0.0 108.411 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -94.72 101.93 13.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.155 0.982 . . . . 0.0 109.416 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -108.02 136.74 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.097 0.959 . . . . 0.0 109.475 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.53 138.01 14.55 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.039 0.828 . . . . 0.0 111.677 170.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.42 135.21 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.034 1.334 . . . . 0.0 108.598 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -126.54 75.04 1.51 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 122.131 0.967 . . . . 0.0 109.675 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.34 154.15 38.53 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.154 -1.384 . . . . 0.0 110.765 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.06 154.91 52.72 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.665 2.243 . . . . 0.0 110.439 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -68.82 -3.91 14.22 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.34 -25.45 65.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.871 0.868 . . . . 0.0 111.952 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -116.37 144.08 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.828 0.823 . . . . 0.0 111.587 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.09 143.03 34.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.925 0.89 . . . . 0.0 110.748 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.97 126.21 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 170.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -150.99 157.16 42.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.684 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' B' ' 12' ' ' ILE . 12.6 ptp180 -74.14 162.53 28.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.598 0.359 . . . . 0.0 111.517 169.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -73.27 -25.52 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 O-C-N 122.006 -0.434 . . . . 0.0 112.057 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.8 -19.97 64.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.837 1.255 . . . . 0.0 112.751 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -120.58 -26.33 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.386 1.074 . . . . 0.0 110.968 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 . . . . . 0 N--CA 1.451 -0.376 0 O-C-N 121.25 -0.906 . . . . 0.0 110.792 -176.42 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -129.16 115.24 17.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.461 1.505 . . . . 0.0 108.213 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.06 138.55 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.86 0.864 . . . . 0.0 111.389 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -141.72 146.13 35.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.831 1.253 . . . . 0.0 111.066 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -91.51 129.18 37.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 166.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.427 ' HD2' HD11 ' B' ' 12' ' ' ILE . 11.5 mmp_? -122.85 127.67 49.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.396 0.679 . . . . 0.0 110.029 170.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 28' ' ' GLN . 26.8 mttt -77.33 153.45 33.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.97 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 28.1 m -57.26 129.84 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.491 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.57 -8.92 64.31 Favored Glycine 0 CA--C 1.527 0.781 0 CA-C-O 119.057 -0.857 . . . . 0.0 114.868 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -88.48 165.2 15.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.126 1.463 . . . . 0.0 111.771 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.38 156.95 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 44' ' ' ARG . 34.5 mm -135.81 152.21 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 127.157 2.183 . . . . 0.0 108.514 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.39 141.93 49.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.529 1.132 . . . . 0.0 110.64 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.29 128.67 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.132 0.973 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.99 -134.05 52.5 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.74 4.98 6.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.744 0.818 . . . . 0.0 112.731 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -114.73 -21.34 10.24 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.62 136.22 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.94 0.791 . . . . 0.0 111.146 -169.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -131.27 147.9 52.63 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.656 1.182 . . . . 0.0 110.012 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.4 mm -129.19 141.61 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.918 1.687 . . . . 0.0 108.031 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -138.61 128.68 25.47 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.846 0.459 . . . . 0.0 110.241 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.27 113.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -81.47 -32.26 32.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.943 -0.473 . . . . 0.0 111.052 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.12 -178.7 36.96 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 113.345 0.098 . . . . 0.0 113.345 170.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -113.56 155.2 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.235 0.614 . . . . 0.0 111.004 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -139.18 81.0 1.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.941 0.897 . . . . 0.0 108.907 170.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.26 -116.52 4.22 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -102.89 12.62 35.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.594 0.757 . . . . 0.0 110.703 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.02 155.92 17.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.875 0.87 . . . . 0.0 110.669 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -144.1 112.18 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.588 1.155 . . . . 0.0 108.817 -169.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.12 119.31 28.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 0.0 109.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.27 133.19 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.208 1.003 . . . . 0.0 109.924 -169.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.12 138.29 13.85 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.52 133.59 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.748 0.819 . . . . 0.0 109.362 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -133.06 76.87 1.71 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.416 -168.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.18 157.33 64.56 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 113.915 -1.493 . . . . 0.0 109.766 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.32 156.82 38.64 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.135 1.89 . . . . 0.0 111.199 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -68.72 -0.82 5.77 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.825 0.85 . . . . 0.0 112.237 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.79 -26.76 67.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.151 1.38 . . . . 0.0 111.284 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.45 144.07 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.461 1.105 . . . . 0.0 110.169 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.22 142.05 28.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.542 0.687 . . . . 0.0 111.182 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.71 98.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.92 -166.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.75 158.55 43.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.968 -0.457 . . . . 0.0 112.07 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.4 ptt-85 -64.48 156.23 30.28 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.111 0.564 . . . . 0.0 111.209 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -54.94 -41.57 71.21 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.341 0.656 . . . . 0.0 112.684 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.64 -23.11 67.24 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.06 -50.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.113 0.565 . . . . 0.0 110.601 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -47.11 -42.48 19.23 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.54 0.736 . . . . 0.0 110.925 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.46 -12.0 60.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -169.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -88.82 -36.38 16.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 119.516 1.053 . . . . 0.0 112.129 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -64.12 -61.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.196 0.998 . . . . 0.0 112.654 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.74 2.49 3.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.73 -0.606 . . . . 0.0 112.568 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.34 -19.38 60.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.316 0.646 . . . . 0.0 112.008 170.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.24 34.8 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 CA-C-O 119.321 -0.71 . . . . 0.0 114.348 169.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -166.25 -175.93 3.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.158 0.979 . . . . 0.0 112.75 -167.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.668 HG22 ' H ' ' B' ' 57' ' ' ALA . 2.9 m -133.54 -176.8 4.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.604 1.162 . . . . 0.0 109.139 169.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.668 ' H ' HG22 ' B' ' 56' ' ' THR . . . -39.52 123.91 1.43 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.069 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -41.26 -44.15 5.52 Favored 'Trans proline' 0 N--CA 1.452 -0.932 1 C-N-CA 126.025 4.484 . . . . 0.0 117.858 -168.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -167.216 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 109.93 20.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 166.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.07 134.96 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.655 0.782 . . . . 0.0 109.796 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.54 134.89 50.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.074 0.95 . . . . 0.0 109.263 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -89.28 143.84 26.54 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 169.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -145.97 123.89 12.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -73.56 149.94 41.81 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -56.37 136.72 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 118.84 0.746 . . . . 0.0 111.444 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -6.73 82.67 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.519 1.057 . . . . 0.0 114.411 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -87.37 172.43 9.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.222 1.511 . . . . 0.0 111.898 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -129.06 159.64 35.3 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -168.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.23 159.65 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 127.482 2.313 . . . . 0.0 108.245 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -132.56 149.15 52.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.044 0.938 . . . . 0.0 112.17 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.53 136.67 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.703 1.201 . . . . 0.0 108.963 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.58 -139.85 44.36 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.656 0.646 . . . . 0.0 111.593 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -121.56 10.0 10.34 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.084 0.953 . . . . 0.0 112.095 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.55 -14.46 7.78 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.92 137.59 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.003 0.82 . . . . 0.0 111.465 -169.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -123.05 138.99 54.53 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.75 1.22 . . . . 0.0 109.336 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -118.11 139.55 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.803 1.241 . . . . 0.0 108.359 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -134.03 129.0 35.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.92 -0.488 . . . . 0.0 110.389 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 tp -83.35 120.91 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.33 -39.39 10.06 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -172.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.47 179.69 43.45 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.746 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.36 151.81 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.296 0.639 . . . . 0.0 110.21 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -149.36 96.99 2.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.83 -139.86 24.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -168.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.6 2.05 39.2 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.927 0.491 . . . . 0.0 111.319 167.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 148.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.209 1.004 . . . . 0.0 110.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.32 114.17 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -82.51 112.81 19.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.4 136.44 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.028 1.331 . . . . 0.0 109.61 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.61 138.62 14.5 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 124.344 0.973 . . . . 0.0 111.569 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -126.26 118.88 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 124.359 1.064 . . . . 0.0 108.688 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -119.16 97.78 5.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.984 0.514 . . . . 0.0 110.171 -173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.69 157.19 72.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.465 1.106 . . . . 0.0 110.123 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.32 151.09 84.58 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.669 2.246 . . . . 0.0 111.087 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.18 -0.94 2.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.414 0.685 . . . . 0.0 112.644 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.89 -22.78 66.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.348 1.059 . . . . 0.0 111.424 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.48 147.65 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.229 1.012 . . . . 0.0 110.49 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.6 156.84 19.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.638 0.375 . . . . 0.0 111.364 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 m -138.3 131.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.302 0.641 . . . . 0.0 109.68 171.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -157.0 160.66 39.23 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.026 0.531 . . . . 0.0 112.088 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -70.3 153.2 43.31 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.69 -31.91 72.89 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.997 0.817 . . . . 0.0 111.738 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.08 -22.32 63.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.06 -35.6 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.566 0.746 . . . . 0.0 110.451 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.77 -32.79 60.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.994 0.918 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.87 -25.3 68.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -69.45 -37.66 77.43 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.233 0.613 . . . . 0.0 111.311 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.454 -0.257 0 O-C-N 122.11 -0.369 . . . . 0.0 110.045 178.584 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.61 112.19 20.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.865 1.666 . . . . 0.0 107.863 168.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -100.2 140.93 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.621 1.168 . . . . 0.0 109.746 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -155.48 156.61 35.56 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.862 0.865 . . . . 0.0 110.984 172.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.3 145.57 24.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.437 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.2 OUTLIER -136.24 144.24 44.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.69 0.796 . . . . 0.0 109.139 167.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -80.91 158.71 25.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -61.0 133.39 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.245 0.545 . . . . 0.0 111.254 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.25 -0.97 81.99 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.988 0.804 . . . . 0.0 113.739 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.66 167.62 12.77 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.6 1.2 . . . . 0.0 112.093 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -122.18 161.83 22.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -168.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.437 HD11 ' HG3' ' D' ' 6' ' ' ARG . 73.9 mt -150.28 162.0 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 128.109 2.563 . . . . 0.0 108.075 -168.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -143.09 152.98 42.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.935 0.894 . . . . 0.0 112.567 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -134.94 140.57 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.787 1.235 . . . . 0.0 109.196 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.61 50.2 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -126.16 9.97 7.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.116 0.966 . . . . 0.0 111.565 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -135.22 -13.33 2.09 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.29 137.23 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 118.753 0.706 . . . . 0.0 110.416 -171.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 49.5 m -117.58 145.12 44.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.189 0.996 . . . . 0.0 109.409 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -128.75 144.25 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.87 1.268 . . . . 0.0 107.75 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -137.73 138.96 39.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . 0.407 HD11 HG13 ' D' ' 30' ' ' VAL . 0.0 OUTLIER -95.26 105.59 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 169.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 mt -78.96 -33.57 45.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.463 -0.773 . . . . 0.0 111.203 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.31 -175.08 44.36 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 118.065 0.393 . . . . 0.0 113.058 169.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.7 158.18 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.163 0.585 . . . . 0.0 111.238 169.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -144.12 79.93 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.091 0.956 . . . . 0.0 109.478 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -116.9 4.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mt-30 -90.59 -8.45 50.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.612 0.765 . . . . 0.0 110.604 172.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -79.81 159.36 26.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.671 0.748 . . . . 0.0 112.356 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.407 HG13 HD11 ' D' ' 22' ' ' ILE . 16.5 t -133.92 125.27 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 125.303 1.441 . . . . 0.0 108.487 169.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -79.61 114.49 18.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.47 125.03 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.48 134.11 11.62 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.14 140.42 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.828 0.851 . . . . 0.0 108.923 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -138.05 89.94 2.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.356 0.663 . . . . 0.0 109.239 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.13 67.16 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.463 1.105 . . . . 0.0 109.396 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.32 150.52 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 121.805 1.67 . . . . 0.0 110.274 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -64.5 -0.99 1.53 Allowed 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.43 0.692 . . . . 0.0 112.374 169.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.84 -24.57 66.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.102 1.361 . . . . 0.0 111.248 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.58 159.3 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.456 1.103 . . . . 0.0 110.67 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.13 157.04 16.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 112.255 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.18 125.0 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 168.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -148.76 165.86 30.17 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.212 0.605 . . . . 0.0 111.469 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.3 156.53 28.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.105 0.562 . . . . 0.0 110.158 168.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.74 -38.67 85.93 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.492 0.587 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pm0 -69.03 -19.72 64.11 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mm -92.83 -40.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.93 0.892 . . . . 0.0 111.1 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -46.37 -38.08 8.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.32 1.448 . . . . 0.0 111.894 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.57 -25.45 68.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.586 1.154 . . . . 0.0 113.617 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.25 -48.51 34.26 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 119.132 0.878 . . . . 0.0 109.818 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 122.902 0.481 . . . . 0.0 110.243 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.09 134.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.901 1.28 . . . . 0.0 108.74 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -138.44 164.69 28.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.624 1.169 . . . . 0.0 111.15 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.17 98.24 4.36 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 168.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -105.04 132.34 51.4 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.514 1.526 . . . . 0.0 111.745 -169.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -80.54 157.2 26.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -61.25 136.03 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.292 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.11 -2.75 84.08 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.06 0.838 . . . . 0.0 114.249 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.04 168.18 10.77 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.842 1.321 . . . . 0.0 111.487 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -129.34 159.84 34.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -137.72 158.1 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 126.902 2.081 . . . . 0.0 107.852 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -136.59 148.66 47.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 112.804 -174.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -137.71 137.11 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.658 1.183 . . . . 0.0 109.061 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -137.67 49.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 10.06 7.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.881 0.873 . . . . 0.0 112.46 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -126.89 -12.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.43 136.24 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.153 0.888 . . . . 0.0 111.268 -169.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -126.27 141.23 52.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.706 1.203 . . . . 0.0 109.809 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -120.47 142.03 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.236 1.415 . . . . 0.0 108.06 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.0 m -137.98 127.85 25.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.709 0.404 . . . . 0.0 109.946 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.26 106.45 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.75 -31.87 59.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 110.605 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.2 -177.56 34.0 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 122.961 0.315 . . . . 0.0 113.557 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.44 155.87 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.737 0.815 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.27 89.97 1.77 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.493 1.117 . . . . 0.0 109.333 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.71 -112.13 4.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.29 -22.93 20.31 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.511 0.655 . . . . 0.0 111.611 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.66 146.53 44.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.387 0.613 . . . . 0.0 110.113 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.39 117.21 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -88.04 124.35 33.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.45 127.63 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.778 0.831 . . . . 0.0 110.323 -168.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.6 140.18 15.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.137 0.875 . . . . 0.0 111.497 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.82 119.15 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.025 1.33 . . . . 0.0 108.721 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -122.24 99.0 6.19 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.08 0.552 . . . . 0.0 109.595 -171.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.56 155.76 73.49 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.435 1.094 . . . . 0.0 110.445 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.97 159.46 33.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -68.47 -0.97 5.6 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 123.483 0.713 . . . . 0.0 112.675 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.83 -24.47 67.56 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.883 1.273 . . . . 0.0 111.565 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.3 153.51 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.318 1.047 . . . . 0.0 110.509 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.92 157.46 18.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.79 128.85 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 122.753 0.421 . . . . 0.0 110.293 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -148.13 167.87 23.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.765 1.226 . . . . 0.0 109.051 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -72.44 159.19 34.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.263 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.81 -18.92 65.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.048 0.539 . . . . 0.0 111.948 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.69 -51.22 68.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.948 0.899 . . . . 0.0 112.113 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -75.31 -35.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.534 0.734 . . . . 0.0 109.796 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 112.149 176.687 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 119.876 -0.107 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.12 151.05 20.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.048 -0.408 . . . . 0.0 111.542 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.85 124.55 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 168.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.09 154.26 26.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.161 1.784 . . . . 0.0 108.996 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 105.76 10.81 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 168.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 128.38 56.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.047 1.339 . . . . 0.0 109.981 -169.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -93.52 164.82 13.03 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.204 0.911 . . . . 0.0 112.624 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -57.9 135.53 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.56 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.3 -4.08 80.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 114.156 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -97.03 169.8 9.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.548 1.174 . . . . 0.0 111.575 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.93 166.71 22.7 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -169.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -145.63 150.47 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 126.939 2.095 . . . . 0.0 108.362 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.84 47.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.39 0.541 . . . . 0.0 112.307 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -135.59 137.18 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.316 1.446 . . . . 0.0 109.033 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.53 -132.77 47.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -122.98 5.29 9.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.786 0.834 . . . . 0.0 112.008 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -141.13 -18.54 0.81 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.93 127.36 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 119.339 0.972 . . . . 0.0 110.268 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -118.34 137.6 52.98 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.587 0.755 . . . . 0.0 110.07 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mm -117.06 143.07 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.041 1.336 . . . . 0.0 108.407 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -137.91 131.41 30.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.464 0.706 . . . . 0.0 109.853 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.59 110.72 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -82.39 -28.28 31.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.396 0.678 . . . . 0.0 110.914 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.18 -176.9 33.47 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 123.73 0.681 . . . . 0.0 112.908 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.56 147.66 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.313 0.645 . . . . 0.0 111.369 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -137.52 89.84 2.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.506 1.122 . . . . 0.0 108.366 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.73 -119.16 11.41 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.1 -17.9 38.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.658 0.783 . . . . 0.0 112.528 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 146.11 29.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.431 0.634 . . . . 0.0 110.175 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.84 123.04 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -87.88 120.91 29.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.08 143.09 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 124.138 0.975 . . . . 0.0 110.162 -168.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 141.75 14.47 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 124.177 0.894 . . . . 0.0 111.865 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.25 131.73 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.866 1.267 . . . . 0.0 109.194 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -127.37 106.42 9.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.09 0.956 . . . . 0.0 109.193 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.7 157.06 77.77 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.796 0.839 . . . . 0.0 111.713 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.49 161.1 39.73 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 123.083 2.522 . . . . 0.0 112.08 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -71.18 -4.29 24.75 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.26 0.624 . . . . 0.0 112.642 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.58 -20.51 63.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.737 1.215 . . . . 0.0 112.512 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.89 164.34 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.671 0.789 . . . . 0.0 111.394 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.52 162.56 13.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.378 0.671 . . . . 0.0 111.444 170.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 127.0 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.342 0.657 . . . . 0.0 110.121 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -153.38 172.12 17.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.275 1.03 . . . . 0.0 110.14 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.42 162.67 27.03 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.725 -0.609 . . . . 0.0 109.809 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -60.58 -29.67 69.33 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.73 -43.15 76.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.165 0.986 . . . . 0.0 111.922 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -90.99 -31.75 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.192 0.997 . . . . 0.0 110.276 -172.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 63.5 t80 . . . . . 0 N--CA 1.453 -0.314 0 C-N-CA 124.376 1.07 . . . . 0.0 112.808 177.498 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 110.58 23.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.491 0.716 . . . . 0.0 109.207 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.09 130.22 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.78 160.26 33.99 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.345 1.058 . . . . 0.0 109.795 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.5 m -123.71 128.91 50.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.6 171.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.775 0.83 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -133.75 157.09 46.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.64 118.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-O 120.531 0.205 . . . . 0.0 110.625 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.97 -5.39 50.25 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.575 1.083 . . . . 0.0 114.838 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -94.85 168.67 10.66 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.045 1.423 . . . . 0.0 112.229 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -139.92 154.29 47.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.62 156.32 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 125.984 1.714 . . . . 0.0 109.438 170.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.21 139.94 52.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.49 1.116 . . . . 0.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.2 mt -133.99 131.74 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.169 0.988 . . . . 0.0 109.494 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.62 -131.77 34.74 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 5.04 4.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.898 0.879 . . . . 0.0 112.912 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -127.2 -24.86 3.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -100.1 138.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 118.759 0.709 . . . . 0.0 110.539 -169.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.66 146.05 45.51 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.7 0.8 . . . . 0.0 109.591 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -127.6 140.76 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.705 1.202 . . . . 0.0 108.304 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -138.21 136.11 36.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.471 0.578 . . . . 0.0 110.36 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -85.53 100.62 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.64 -31.35 63.46 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.155 -0.34 . . . . 0.0 110.128 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.5 -170.69 43.24 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 122.997 0.332 . . . . 0.0 112.938 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.2 158.47 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.561 0.745 . . . . 0.0 111.98 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -140.38 70.1 1.36 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.968 1.307 . . . . 0.0 109.823 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.69 -118.66 5.82 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.35 -6.15 52.23 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.416 0.686 . . . . 0.0 111.609 173.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.95 157.88 16.02 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.926 0.869 . . . . 0.0 112.627 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.0 t -143.09 125.5 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 126.709 2.004 . . . . 0.0 107.939 -169.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -110.24 101.99 10.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.383 0.611 . . . . 0.0 110.622 -172.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -106.63 135.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.563 1.545 . . . . 0.0 109.611 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.28 139.55 14.86 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 123.806 0.717 . . . . 0.0 111.532 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.98 133.98 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.293 1.437 . . . . 0.0 108.156 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -122.06 75.0 1.19 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.6 1.16 . . . . 0.0 109.206 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.35 153.82 42.53 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 125.102 1.361 . . . . 0.0 110.805 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.41 153.9 55.68 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.6 2.2 . . . . 0.0 110.497 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.6 -4.15 14.35 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.09 -25.41 64.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.961 0.904 . . . . 0.0 112.135 169.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.87 144.07 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.727 0.775 . . . . 0.0 111.505 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.47 143.05 29.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.888 0.875 . . . . 0.0 110.707 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.67 128.79 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 122.647 0.379 . . . . 0.0 110.413 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -150.32 -175.9 5.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.696 1.198 . . . . 0.0 109.714 -172.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -129.12 167.46 17.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 171.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.02 -37.58 83.06 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.43 -5.82 35.67 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -119.21 -26.88 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.994 1.318 . . . . 0.0 111.09 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.452 -0.357 0 O-C-N 121.481 -0.762 . . . . 0.0 110.334 -173.643 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -110.46 121.93 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.11 139.8 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 122.804 0.442 . . . . 0.0 111.56 -166.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.1 mt -135.52 135.03 40.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.266 1.027 . . . . 0.0 111.117 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.2 m -94.37 121.54 36.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.84 160.54 24.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.329 1.452 . . . . 0.0 109.028 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -120.23 163.01 18.42 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 119.215 0.916 . . . . 0.0 111.122 167.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -62.66 125.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 121.383 0.611 . . . . 0.0 110.464 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.63 -4.59 58.09 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-O 118.812 -0.994 . . . . 0.0 115.083 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.92 166.38 13.98 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.407 1.603 . . . . 0.0 111.447 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -129.87 153.99 47.75 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.727 0.811 . . . . 0.0 112.324 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 19.4 mt -131.38 154.41 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.539 1.936 . . . . 0.0 109.43 -175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -135.63 139.65 43.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.728 -0.607 . . . . 0.0 111.705 -173.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -133.07 128.23 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.344 1.058 . . . . 0.0 109.505 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -135.12 52.08 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.09 4.9 6.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.793 0.837 . . . . 0.0 112.775 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.78 -21.3 11.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.66 135.26 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.847 0.749 . . . . 0.0 111.283 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -130.21 149.26 51.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.919 1.288 . . . . 0.0 109.652 170.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.49 146.46 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.764 1.625 . . . . 0.0 108.002 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -138.64 132.38 30.84 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.078 -0.389 . . . . 0.0 110.257 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.409 HG22 ' H ' ' B' ' 22' ' ' ILE . 1.1 tp -85.42 96.74 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.63 -31.81 71.22 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.933 -0.479 . . . . 0.0 111.133 -174.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.87 -174.58 37.52 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 113.399 0.12 . . . . 0.0 113.399 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -114.72 152.03 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.246 0.618 . . . . 0.0 110.961 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -132.91 77.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.87 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -115.8 4.09 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.448 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.23 16.7 24.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 111.488 171.065 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -99.01 159.08 15.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.41 1.084 . . . . 0.0 109.63 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.19 118.6 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.415 1.086 . . . . 0.0 109.498 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.29 123.65 36.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.046 1.338 . . . . 0.0 109.608 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.0 131.06 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.052 0.941 . . . . 0.0 110.324 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.18 138.71 14.18 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.9 131.4 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.842 0.83 . . . . 0.0 109.543 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 74.97 1.6 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.495 -1.229 . . . . 0.0 109.505 -168.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.16 157.15 51.64 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.357 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.33 155.35 41.26 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.732 1.621 . . . . 0.0 109.825 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -0.84 11.2 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.879 0.847 . . . . 0.0 111.136 174.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.71 -25.36 67.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.301 1.84 . . . . 0.0 111.257 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.65 144.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.456 1.102 . . . . 0.0 109.999 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.88 141.63 30.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.663 0.744 . . . . 0.0 111.487 170.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.55 99.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.509 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 156.95 44.44 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.234 0.54 . . . . 0.0 112.335 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -62.53 153.15 32.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.616 0.766 . . . . 0.0 111.011 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -55.26 -40.01 70.46 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.098 0.559 . . . . 0.0 112.421 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -64.97 -17.0 64.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -91.63 -50.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.047 0.939 . . . . 0.0 110.592 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -51.22 -36.25 40.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.299 1.04 . . . . 0.0 111.857 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -70.73 -20.78 62.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -80.59 -39.93 26.68 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.481 1.037 . . . . 0.0 110.33 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.504 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.2 mt -63.15 -40.77 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -176.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.504 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.3 mm-40 -80.45 5.0 16.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 173.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.73 -20.79 38.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 111.75 169.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.36 45.74 0.07 OUTLIER Glycine 0 C--N 1.339 0.699 0 CA-C-O 119.312 -0.716 . . . . 0.0 114.711 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.05 -176.08 2.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.065 0.933 . . . . 0.0 113.021 -168.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.8 p -126.55 -179.15 4.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.552 1.541 . . . . 0.0 109.23 167.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.44 123.88 2.84 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.37 1.068 . . . . 0.0 112.093 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -65.39 175.86 3.81 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.513 2.142 . . . . 0.0 114.247 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.017 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.07 19.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.465 1.106 . . . . 0.0 108.291 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.88 133.49 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.933 0.893 . . . . 0.0 109.468 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.07 140.54 50.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.292 1.037 . . . . 0.0 110.011 169.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -100.55 140.37 34.91 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.586 0.355 . . . . 0.0 110.842 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.64 140.03 42.47 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.559 0.744 . . . . 0.0 110.75 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.2 tptm -76.51 153.64 35.31 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.33 133.66 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.159 0.89 . . . . 0.0 111.462 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.22 -3.47 79.99 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.723 1.154 . . . . 0.0 114.305 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -88.11 177.24 6.97 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.421 1.61 . . . . 0.0 112.51 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -138.6 158.43 44.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -167.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -139.91 158.74 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 128.006 2.523 . . . . 0.0 108.031 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -131.68 149.92 52.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.164 0.986 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -134.55 136.41 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 108.992 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.65 41.32 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.756 0.694 . . . . 0.0 111.558 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.14 10.05 10.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.274 1.03 . . . . 0.0 111.74 169.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -120.61 -16.17 8.33 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.551 1.14 . . . . 0.0 113.144 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.95 139.22 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 118.965 0.802 . . . . 0.0 111.773 -169.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -125.08 143.05 51.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.893 1.277 . . . . 0.0 109.449 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mm -123.75 140.84 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.182 1.393 . . . . 0.0 108.361 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -136.37 135.88 39.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.796 0.438 . . . . 0.0 110.685 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.06 112.93 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 167.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.8 -37.66 20.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.867 -0.521 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -174.54 43.0 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.112 169.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.03 154.22 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -146.49 100.15 3.31 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.767 1.227 . . . . 0.0 108.997 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.85 -120.02 17.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -170.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.38 1.74 47.23 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.934 0.893 . . . . 0.0 111.823 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 26.4 mt-30 -91.69 156.34 17.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.858 0.837 . . . . 0.0 111.767 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.14 123.85 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.92 1.288 . . . . 0.0 108.389 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -83.13 115.89 22.1 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 169.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.74 122.82 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.062 1.345 . . . . 0.0 109.563 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 138.85 15.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 125.117 1.342 . . . . 0.0 111.712 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.0 mt -132.82 135.02 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.98 92.04 2.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.66 156.19 79.76 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.03 0.932 . . . . 0.0 110.379 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.6 152.75 76.01 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.578 2.185 . . . . 0.0 111.053 170.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.45 -1.19 4.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.91 -19.73 65.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.795 1.238 . . . . 0.0 111.372 168.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.18 149.4 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.072 0.949 . . . . 0.0 110.774 172.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 156.39 20.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.103 0.561 . . . . 0.0 111.419 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.0 131.02 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 110.032 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -157.01 165.03 37.29 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.482 0.713 . . . . 0.0 111.701 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -77.64 160.69 28.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 166.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.34 -28.79 70.0 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.236 0.615 . . . . 0.0 112.003 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.17 -45.84 83.32 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.042 0.937 . . . . 0.0 111.305 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -90.88 -29.24 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.74 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.637 ' HA ' HD13 ' C' ' 51' ' ' ILE . 40.3 t80 -48.83 -38.99 23.82 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.302 0.641 . . . . 0.0 111.73 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -52.67 -20.84 3.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 126.623 1.969 . . . . 0.0 114.172 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -87.22 -38.49 16.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp . . . . . 0 N--CA 1.463 0.201 0 C-N-CA 125.44 1.496 . . . . 0.0 112.72 -168.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -122.62 114.84 21.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.45 1.5 . . . . 0.0 107.325 166.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.16 124.81 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.812 1.245 . . . . 0.0 108.662 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -112.42 169.17 9.06 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.419 1.088 . . . . 0.0 110.339 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -136.61 109.89 7.84 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.918 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -126.79 149.05 49.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.763 0.825 . . . . 0.0 111.081 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 15.1 mmtp -75.78 160.96 29.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 111.657 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.82 139.67 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.15 0.58 . . . . 0.0 111.622 169.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.64 -3.78 86.67 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.421 1.01 . . . . 0.0 113.798 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -87.79 169.8 11.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.979 1.389 . . . . 0.0 112.809 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -128.05 154.47 45.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.938 0.895 . . . . 0.0 112.349 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -146.26 158.94 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 127.234 2.214 . . . . 0.0 108.263 -170.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -137.99 152.32 48.78 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.298 -0.876 . . . . 0.0 112.747 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.83 138.02 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.985 1.314 . . . . 0.0 108.962 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -135.17 51.95 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.39 10.02 5.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.103 0.961 . . . . 0.0 112.422 172.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -125.15 -14.83 6.46 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.94 138.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 118.903 0.774 . . . . 0.0 111.027 -169.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -122.96 146.81 47.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.529 1.132 . . . . 0.0 109.769 174.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.04 141.67 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.59 1.556 . . . . 0.0 107.949 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -139.46 131.14 27.33 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -88.25 109.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 169.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -83.14 -28.55 29.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.366 0.666 . . . . 0.0 110.7 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.48 -174.06 38.82 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 122.662 0.172 . . . . 0.0 112.816 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.04 160.24 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 122.891 0.476 . . . . 0.0 110.888 169.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.1 m -146.68 76.32 1.43 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.646 1.178 . . . . 0.0 108.916 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -120.14 5.88 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.473 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.1 mp0 -89.38 -11.66 42.58 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 110.915 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.07 151.22 28.45 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.638 0.732 . . . . 0.0 111.221 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.64 128.9 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.941 1.297 . . . . 0.0 107.568 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -96.83 115.25 27.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.032 0.933 . . . . 0.0 108.89 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.78 124.49 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.432 0.693 . . . . 0.0 110.335 -168.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.84 141.14 15.9 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.821 1.201 . . . . 0.0 110.922 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -134.44 135.51 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -138.04 89.93 2.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -171.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.98 155.82 54.99 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.636 1.174 . . . . 0.0 109.524 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.54 150.28 86.02 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.032 1.821 . . . . 0.0 110.524 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.67 -1.12 6.21 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.68 -23.19 66.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.903 1.281 . . . . 0.0 111.54 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -124.07 160.0 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.263 1.025 . . . . 0.0 110.716 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.09 16.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.28 0.632 . . . . 0.0 112.336 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.69 127.44 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 O-C-N 121.928 -0.483 . . . . 0.0 110.216 168.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.08 166.58 30.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.81 . . . . 0.0 111.541 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.77 156.67 19.8 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.33 -36.93 79.08 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.656 -0.652 . . . . 0.0 111.507 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.85 -21.51 66.02 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.11 -38.23 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.253 1.021 . . . . 0.0 111.102 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -47.29 -38.38 12.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.157 1.383 . . . . 0.0 111.849 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.81 -24.93 67.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.632 1.173 . . . . 0.0 113.506 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.51 -48.05 36.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 119.181 0.901 . . . . 0.0 109.694 172.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.452 -0.332 0 C-N-CA 122.964 0.505 . . . . 0.0 110.354 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.91 139.2 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.162 0.985 . . . . 0.0 109.254 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.53 164.52 27.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.379 1.472 . . . . 0.0 110.684 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -125.81 99.05 5.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 130.44 53.09 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.86 1.264 . . . . 0.0 110.944 -170.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.83 159.21 18.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.155 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.06 136.06 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.688 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.75 -2.98 80.92 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.117 0.865 . . . . 0.0 114.341 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -97.38 173.74 7.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.641 1.221 . . . . 0.0 111.543 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -134.18 158.73 42.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -133.07 155.2 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 126.73 2.012 . . . . 0.0 107.688 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.94 144.63 43.53 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.505 -0.747 . . . . 0.0 111.805 -169.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 54.0 mt -137.15 136.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.399 1.08 . . . . 0.0 109.417 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.39 -136.89 50.64 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -126.83 10.0 7.01 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.931 0.892 . . . . 0.0 112.445 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -128.28 -12.76 5.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 134.62 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 119.186 0.903 . . . . 0.0 111.009 -170.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 58.2 m -131.42 144.15 50.98 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.328 1.051 . . . . 0.0 110.275 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -120.77 142.99 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.898 1.679 . . . . 0.0 107.838 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -136.05 125.91 25.77 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.902 0.481 . . . . 0.0 109.992 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -78.86 106.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.91 -30.16 56.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.972 -0.455 . . . . 0.0 110.911 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 -174.52 34.9 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.017 0.342 . . . . 0.0 113.667 170.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.13 157.64 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 C-N-CA 123.622 0.769 . . . . 0.0 112.27 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -150.05 91.0 1.73 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.24 -112.67 4.29 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 121.681 -0.637 . . . . 0.0 111.719 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -92.24 -18.0 24.03 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.745 0.773 . . . . 0.0 111.448 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -74.8 144.58 43.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.644 0.735 . . . . 0.0 110.091 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -141.12 110.66 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -87.5 125.97 34.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.98 133.15 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.157 0.583 . . . . 0.0 110.509 -168.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 145.32 17.68 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.568 1.08 . . . . 0.0 111.702 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.84 124.92 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.864 1.266 . . . . 0.0 108.926 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -124.51 100.09 6.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.385 0.674 . . . . 0.0 109.424 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.64 155.24 71.65 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -63.29 158.77 42.87 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.093 2.529 . . . . 0.0 112.137 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -72.63 -1.03 14.61 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.28 -21.06 66.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.327 1.051 . . . . 0.0 111.396 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -125.57 159.39 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 110.647 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.77 16.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.32 125.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.098 0.559 . . . . 0.0 110.668 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -151.81 166.55 31.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.264 1.026 . . . . 0.0 110.874 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -72.43 155.86 39.67 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -58.91 -29.61 67.18 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.709 0.404 . . . . 0.0 111.8 -172.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.46 -51.6 68.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.439 1.095 . . . . 0.0 111.94 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -74.9 -33.26 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.839 1.256 . . . . 0.0 109.972 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 123.713 0.805 . . . . 0.0 112.138 177.732 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.17 148.33 22.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.948 -0.47 . . . . 0.0 111.651 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.81 135.74 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.817 0.847 . . . . 0.0 109.398 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.27 162.01 29.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.65 1.18 . . . . 0.0 110.02 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 97.96 4.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.513 ' HD3' HD11 ' F' ' 12' ' ' ILE . 5.4 ttp180 -105.06 162.09 13.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.853 1.261 . . . . 0.0 110.82 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -116.83 168.51 10.16 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -53.85 134.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.356 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 -11.61 65.1 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.513 1.054 . . . . 0.0 114.804 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.02 175.65 6.79 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.402 1.601 . . . . 0.0 113.048 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -138.65 156.04 47.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' F' ' 6' ' ' ARG . 40.7 mm -128.76 155.06 40.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 126.557 1.943 . . . . 0.0 108.381 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -121.17 148.65 43.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.669 0.788 . . . . 0.0 112.071 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.58 140.24 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.657 1.183 . . . . 0.0 108.836 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.65 -132.52 51.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.5 1.28 8.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.101 0.961 . . . . 0.0 111.938 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -138.14 -11.22 1.47 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.0 137.22 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.973 0.806 . . . . 0.0 110.511 -174.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -128.66 140.76 51.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.318 1.047 . . . . 0.0 110.044 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -118.3 139.76 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.085 1.354 . . . . 0.0 108.139 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 41.2 m -136.28 136.64 39.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.498 0.719 . . . . 0.0 110.27 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -96.86 106.7 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.07 -34.98 56.95 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.71 0.404 . . . . 0.0 110.072 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.59 -175.41 39.01 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 122.942 0.306 . . . . 0.0 113.301 169.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.12 151.31 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.444 0.698 . . . . 0.0 111.529 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 61.5 m -142.37 89.9 2.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.494 1.118 . . . . 0.0 108.624 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.99 -119.97 20.71 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -83.12 -24.84 32.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.367 0.584 . . . . 0.0 112.238 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -69.63 145.71 52.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.865 0.866 . . . . 0.0 110.85 173.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 t -137.61 119.64 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.75 112.49 18.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.578 0.751 . . . . 0.0 109.277 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.51 134.17 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.735 0.814 . . . . 0.0 110.383 -173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.27 142.46 15.76 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.59 1.09 . . . . 0.0 111.547 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.28 136.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.469 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -127.76 109.47 11.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.097 0.959 . . . . 0.0 108.952 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.44 157.41 77.47 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 123.523 0.729 . . . . 0.0 111.392 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.95 162.86 30.59 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.915 2.41 . . . . 0.0 112.214 172.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.32 -11.21 29.83 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.97 -20.35 66.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.35 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.96 162.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.161 0.984 . . . . 0.0 110.925 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.25 159.64 18.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.945 0.498 . . . . 0.0 111.078 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 124.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.969 0.507 . . . . 0.0 110.339 169.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -154.1 173.36 16.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.915 0.886 . . . . 0.0 111.117 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -80.46 163.68 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 167.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -19.17 65.12 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.27 -44.52 97.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.918 -0.489 . . . . 0.0 110.977 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -85.99 -35.39 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.474 0.71 . . . . 0.0 110.087 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.763 0.825 . . . . 0.0 112.022 177.025 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 110.33 22.91 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.653 0.661 . . . . 0.0 109.441 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.47 134.44 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.593 0.757 . . . . 0.0 109.076 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -131.38 155.25 47.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 109.647 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -116.2 101.04 8.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.99 138.61 45.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.72 0.808 . . . . 0.0 110.474 -169.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -105.23 154.29 20.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.432 0.293 . . . . 0.0 110.254 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -50.45 124.78 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.455 0.702 . . . . 0.0 111.072 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.59 -5.03 69.87 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.763 1.173 . . . . 0.0 114.331 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -93.12 169.39 10.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.829 1.315 . . . . 0.0 111.711 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -137.88 148.53 45.46 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HD2' ' A' ' 6' ' ' ARG . 40.0 mm -109.5 153.92 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 125.875 1.67 . . . . 0.0 109.326 169.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -124.67 136.51 53.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.676 1.191 . . . . 0.0 109.57 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -130.93 131.1 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.103 0.961 . . . . 0.0 109.726 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 -127.98 29.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -124.4 -2.27 8.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.809 0.843 . . . . 0.0 112.661 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -135.61 -26.95 1.2 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -92.98 140.42 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.603 0.638 . . . . 0.0 110.302 -171.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -133.24 146.76 51.74 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.63 0.772 . . . . 0.0 109.327 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 mm -127.93 138.53 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.797 1.239 . . . . 0.0 107.983 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -133.97 132.52 40.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.448 0.567 . . . . 0.0 110.408 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.39 102.53 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.92 -29.85 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.981 -0.45 . . . . 0.0 110.11 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -171.07 40.45 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 113.796 0.278 . . . . 0.0 113.796 168.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.76 155.98 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -139.97 60.93 1.54 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.218 1.007 . . . . 0.0 110.721 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.66 -121.05 5.38 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -173.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.4 21.55 3.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.774 0.83 . . . . 0.0 111.812 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -138.87 159.49 42.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.956 0.902 . . . . 0.0 112.27 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 t -128.96 136.41 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 109.437 -167.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.04 103.59 12.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.01 0.924 . . . . 0.0 110.109 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.66 132.8 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.351 1.46 . . . . 0.0 109.289 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.51 139.0 14.55 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.729 0.68 . . . . 0.0 111.619 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -111.29 129.11 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.302 1.441 . . . . 0.0 108.168 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -118.38 74.94 0.98 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.322 1.049 . . . . 0.0 109.323 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.97 152.26 40.25 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.35 152.8 66.49 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.315 2.01 . . . . 0.0 110.181 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -70.39 -1.13 9.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.6 -25.53 63.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.179 0.992 . . . . 0.0 111.632 169.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.01 144.06 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.933 0.873 . . . . 0.0 111.732 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.0 32.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.08 0.952 . . . . 0.0 110.767 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 m -130.81 131.68 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.744 0.417 . . . . 0.0 110.136 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -151.44 -176.04 5.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.555 1.142 . . . . 0.0 110.38 -171.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -125.32 167.1 15.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 172.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -52.24 -53.73 40.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -166.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -76.69 -0.94 25.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.282 0.947 . . . . 0.0 113.19 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 44' ' ' ARG . 2.8 mt -106.5 -26.49 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.205 1.002 . . . . 0.0 110.321 169.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.451 -0.4 0 O-C-N 121.448 -0.783 . . . . 0.0 110.565 -177.679 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.58 122.34 45.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.328 1.451 . . . . 0.0 107.4 168.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.16 140.35 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -165.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -132.98 142.43 48.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.064 1.346 . . . . 0.0 110.453 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -114.17 110.53 20.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -130.87 144.68 51.64 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.094 0.958 . . . . 0.0 111.492 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -78.1 158.77 29.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 m -58.93 135.57 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.666 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.48 71.61 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.111 -0.827 . . . . 0.0 114.738 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -90.3 165.63 13.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.977 1.389 . . . . 0.0 112.112 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -128.8 156.47 43.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.714 0.769 . . . . 0.0 112.685 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -141.8 156.1 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.362 1.865 . . . . 0.0 108.804 -170.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.25 143.97 40.34 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.702 -0.624 . . . . 0.0 112.548 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -135.95 142.7 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 116.855 -1.545 . . . . 0.0 107.109 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 15.94 122.66 0.0 OUTLIER Glycine 0 C--N 1.34 0.779 0 CA-C-O 115.802 -2.665 . . . . 0.0 110.602 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.54 5.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 120.98 3.696 . . . . 0.0 120.98 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.9 m-20 -86.83 -21.35 26.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.677 1.191 . . . . 0.0 112.265 164.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -114.57 142.84 25.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 121.229 1.832 . . . . 0.0 113.229 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -139.39 151.59 46.42 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.898 1.279 . . . . 0.0 109.986 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.08 145.07 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 126.065 1.746 . . . . 0.0 108.583 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.4 m -138.74 130.75 28.1 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.099 0.56 . . . . 0.0 110.119 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 22' ' ' ILE . 2.6 tp -82.54 111.9 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 170.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.19 -31.03 38.81 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.125 -0.359 . . . . 0.0 110.978 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.87 179.69 33.89 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 122.57 0.129 . . . . 0.0 113.306 169.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.34 150.63 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.123 0.569 . . . . 0.0 110.903 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -133.56 78.37 1.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.568 1.147 . . . . 0.0 108.567 170.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.77 -116.7 4.7 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.68 7.28 43.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.283 0.633 . . . . 0.0 110.801 177.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 150.61 21.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.038 0.935 . . . . 0.0 110.034 169.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.14 115.64 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.291 0.636 . . . . 0.0 109.316 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.91 118.19 26.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.08 0.952 . . . . 0.0 109.575 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.96 132.17 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.146 0.978 . . . . 0.0 109.862 -169.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.77 138.15 13.93 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -120.33 132.63 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.838 0.828 . . . . 0.0 108.978 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -130.94 82.73 2.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.661 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.92 156.0 80.54 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.183 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -58.55 155.97 33.96 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.905 1.737 . . . . 0.0 110.808 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -72.54 -0.68 13.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.92 0.488 . . . . 0.0 111.999 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.9 -27.52 68.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.978 1.311 . . . . 0.0 112.068 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.42 144.08 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.706 0.802 . . . . 0.0 110.315 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.13 142.3 27.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.299 0.571 . . . . 0.0 111.504 170.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.14 96.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.855 -166.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.75 159.69 42.82 Favored 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 121.674 -0.641 . . . . 0.0 111.522 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.9 ptt-85 -63.91 156.3 28.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.55 0.214 . . . . 0.0 111.308 169.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.48 -37.17 62.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.429 0.691 . . . . 0.0 112.356 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.46 -47.76 66.27 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.16 0.436 . . . . 0.0 110.988 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.46 -47.32 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.307 1.443 . . . . 0.0 110.037 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.67 -36.22 45.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.113 0.965 . . . . 0.0 111.59 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.41 -21.13 62.03 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -83.91 -37.77 21.94 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.371 0.987 . . . . 0.0 110.683 169.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.511 HG22 ' NE2' ' B' ' 52' ' ' GLN . 94.9 mt -62.93 -41.9 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.511 ' NE2' HG22 ' B' ' 51' ' ' ILE . 33.9 mm-40 -79.55 5.1 13.88 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 173.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.61 -20.33 47.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.865 -0.522 . . . . 0.0 111.489 168.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.97 45.18 0.07 OUTLIER Glycine 0 C--N 1.338 0.661 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.546 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -176.09 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.062 0.931 . . . . 0.0 113.061 -168.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -125.24 178.74 5.41 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.568 1.547 . . . . 0.0 109.093 167.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.32 123.2 1.35 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 124.623 1.169 . . . . 0.0 112.297 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -66.84 -177.07 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.974 2.449 . . . . 0.0 113.566 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 124.013 0.925 . . . . 0.0 112.48 171.521 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 112.02 23.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 166.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.35 136.73 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.897 0.879 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.016 0.926 . . . . 0.0 109.595 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.55 144.51 25.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.436 ' NH1' HD12 ' C' ' 12' ' ' ILE . 2.0 ttp-105 -146.06 157.97 43.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.2 tptm -91.82 153.58 19.48 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.27 1.028 . . . . 0.0 109.546 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.84 135.57 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 118.33 0.514 . . . . 0.0 111.74 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 -6.16 68.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.894 1.235 . . . . 0.0 114.698 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -92.12 176.05 6.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.318 1.559 . . . . 0.0 113.057 -173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -129.63 152.08 49.54 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.436 HD12 ' NH1' ' C' ' 6' ' ' ARG . 23.2 mt -134.22 152.95 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 126.916 2.087 . . . . 0.0 108.676 173.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.55 145.91 44.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.014 0.925 . . . . 0.0 111.25 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -130.98 129.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.565 1.146 . . . . 0.0 108.597 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.68 -138.81 47.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -117.64 4.84 12.33 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.851 1.26 . . . . 0.0 111.078 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.7 -17.23 5.99 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -169.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.62 140.11 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.967 0.803 . . . . 0.0 110.874 -170.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -129.27 140.66 51.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 109.719 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -117.49 135.46 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 108.836 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -127.36 129.73 48.13 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.331 0.653 . . . . 0.0 110.047 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -88.86 117.06 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.61 -38.5 12.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.139 -0.351 . . . . 0.0 110.375 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.67 -178.58 42.59 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 113.809 0.283 . . . . 0.0 113.809 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.45 154.23 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.644 0.777 . . . . 0.0 110.467 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -151.45 106.27 3.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 108.607 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.7 -133.63 25.37 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.27 1.77 56.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.852 0.861 . . . . 0.0 111.993 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.85 151.72 21.62 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.989 0.915 . . . . 0.0 110.458 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.0 118.97 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 124.122 0.969 . . . . 0.0 108.664 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -77.98 112.12 14.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.473 0.579 . . . . 0.0 109.627 171.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.78 127.16 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.841 1.256 . . . . 0.0 109.658 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.89 139.22 14.36 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.298 0.951 . . . . 0.0 111.971 173.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.13 118.58 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.583 1.153 . . . . 0.0 108.498 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -116.39 92.05 3.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.089 0.556 . . . . 0.0 110.115 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.5 157.79 71.83 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.397 1.079 . . . . 0.0 110.067 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.39 153.89 71.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.622 2.215 . . . . 0.0 111.179 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.72 -1.01 3.31 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 123.293 0.637 . . . . 0.0 112.474 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -22.22 66.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.241 1.016 . . . . 0.0 111.334 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.02 148.93 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.42 156.99 19.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.711 0.404 . . . . 0.0 111.349 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -137.51 134.7 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.341 0.656 . . . . 0.0 109.231 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -155.57 160.8 40.79 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.684 0.675 . . . . 0.0 112.703 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -67.14 146.05 54.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 165.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.67 -31.74 70.97 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.812 0.733 . . . . 0.0 111.98 -173.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -54.59 -44.51 73.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.765 0.826 . . . . 0.0 111.528 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -85.2 -31.77 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.497 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.402 ' HA ' HG12 ' C' ' 51' ' ' ILE . 61.6 t80 -53.91 -37.25 63.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.669 0.788 . . . . 0.0 112.136 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.22 -28.49 70.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.858 -0.526 . . . . 0.0 112.217 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.73 -36.4 70.46 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.517 0.727 . . . . 0.0 111.75 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.9 mm . . . . . 0 N--CA 1.457 -0.114 0 C-N-CA 123.239 0.616 . . . . 0.0 110.276 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.469 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.0 tpp . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.28 115.53 28.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.26 1.424 . . . . 0.0 107.812 167.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.469 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -100.22 124.28 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.863 1.265 . . . . 0.0 108.592 -178.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -109.54 168.13 9.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.909 0.884 . . . . 0.0 109.158 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -125.53 109.83 13.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 168.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -113.55 131.26 56.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.829 -0.545 . . . . 0.0 111.239 -167.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -72.95 152.27 41.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.209 0.528 . . . . 0.0 110.547 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.36 137.97 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.454 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.45 -5.23 85.05 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.298 0.951 . . . . 0.0 114.073 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -85.51 170.91 12.18 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.09 1.445 . . . . 0.0 112.186 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -131.03 163.1 28.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.941 0.897 . . . . 0.0 112.295 -170.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mt -150.32 160.12 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.552 2.341 . . . . 0.0 108.207 -168.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -137.78 152.96 49.7 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 0.0 112.343 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -133.28 138.31 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.9 1.28 . . . . 0.0 108.947 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.51 -135.35 51.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.98 10.02 6.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.014 0.926 . . . . 0.0 112.648 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -129.39 -14.18 4.27 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.54 137.95 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 119.082 0.856 . . . . 0.0 110.98 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 41.6 m -120.03 146.75 45.59 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.641 1.176 . . . . 0.0 109.696 172.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.23 142.72 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.412 1.485 . . . . 0.0 108.006 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.53 130.74 28.54 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -87.9 101.15 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 54.6 mt -75.61 -29.66 59.29 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.205 0.602 . . . . 0.0 111.154 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.26 -172.08 39.14 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 122.969 0.319 . . . . 0.0 112.575 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -111.6 164.82 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 C-N-CA 123.162 0.585 . . . . 0.0 111.07 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -151.74 80.16 1.27 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.089 0.955 . . . . 0.0 109.747 169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.09 -121.79 5.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.474 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -87.6 -11.23 49.18 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.427 0.691 . . . . 0.0 110.69 170.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.86 154.83 28.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.053 0.93 . . . . 0.0 111.927 171.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.01 129.65 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.774 1.63 . . . . 0.0 107.329 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -96.36 115.21 27.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.914 0.886 . . . . 0.0 108.654 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -124.8 129.8 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.121 0.568 . . . . 0.0 110.164 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.58 136.83 12.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.075 0.845 . . . . 0.0 111.156 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.48 141.23 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.06 0.944 . . . . 0.0 108.565 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -138.12 89.99 2.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.29 0.636 . . . . 0.0 109.414 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.77 157.07 60.9 Favored Pre-proline 0 N--CA 1.452 -0.373 0 C-N-CA 124.691 1.197 . . . . 0.0 109.88 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.28 150.79 87.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.136 1.891 . . . . 0.0 110.532 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.4 -2.11 7.87 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.08 -23.36 66.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.82 1.248 . . . . 0.0 111.789 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.98 160.03 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.18 0.992 . . . . 0.0 110.961 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.77 156.97 16.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.298 0.639 . . . . 0.0 112.505 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.64 118.63 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.127 0.571 . . . . 0.0 109.957 168.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -148.81 162.25 40.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.505 0.722 . . . . 0.0 111.592 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -62.76 155.51 26.44 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.816 0.446 . . . . 0.0 110.654 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.54 -33.28 74.59 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.975 0.51 . . . . 0.0 111.542 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.77 -27.71 68.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.494 0.717 . . . . 0.0 112.675 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -89.46 -37.36 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.86 1.264 . . . . 0.0 110.726 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -53.39 -40.74 65.28 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.121 0.969 . . . . 0.0 111.041 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -64.08 -25.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.509 0.724 . . . . 0.0 112.918 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -77.06 -38.96 51.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.724 0.809 . . . . 0.0 111.222 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 121.142 0.496 . . . . 0.0 109.849 -176.566 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 mm -126.42 116.2 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.267 1.027 . . . . 0.0 108.345 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.12 151.43 38.3 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.771 1.228 . . . . 0.0 110.089 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.34 109.7 11.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 166.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -121.49 162.14 21.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.396 1.478 . . . . 0.0 109.769 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -117.38 167.13 11.53 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.56 133.87 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.022 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.21 67.7 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.353 0.978 . . . . 0.0 114.759 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -90.39 176.48 6.7 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.314 1.557 . . . . 0.0 112.592 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -137.26 156.76 47.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -136.72 152.69 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.502 1.921 . . . . 0.0 107.906 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -124.99 150.72 46.4 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.565 -0.71 . . . . 0.0 112.721 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.69 138.48 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.853 1.261 . . . . 0.0 108.914 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.43 -140.21 47.26 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.01 9.36 11.83 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.907 0.883 . . . . 0.0 111.77 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -136.59 -7.88 1.93 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -169.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.52 136.55 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 119.166 0.894 . . . . 0.0 110.799 -173.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.6 m -126.38 143.49 51.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.349 1.059 . . . . 0.0 110.303 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -120.39 135.4 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.518 1.527 . . . . 0.0 108.213 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 32.9 m -132.7 133.25 43.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.545 0.738 . . . . 0.0 110.264 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -91.65 99.99 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.65 -32.91 68.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.742 -0.599 . . . . 0.0 110.961 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 -178.99 33.43 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.03 0.347 . . . . 0.0 113.42 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.87 157.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.638 0.775 . . . . 0.0 111.8 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -149.95 90.04 1.65 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.631 1.172 . . . . 0.0 109.305 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -106.35 1.95 Allowed Glycine 0 CA--C 1.524 0.619 0 O-C-N 121.874 -0.517 . . . . 0.0 111.853 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -99.34 -20.81 16.33 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 117.691 0.745 . . . . 0.0 111.896 169.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -72.67 142.56 48.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.8 115.85 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -86.28 126.57 34.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.42 133.01 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.704 0.802 . . . . 0.0 110.165 -168.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.11 140.81 15.06 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.363 0.982 . . . . 0.0 111.507 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -133.14 124.0 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.549 1.139 . . . . 0.0 108.954 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -123.56 99.27 6.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.982 0.513 . . . . 0.0 109.637 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.61 155.4 73.56 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.5 1.12 . . . . 0.0 110.671 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.83 159.47 37.53 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.938 2.425 . . . . 0.0 112.007 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -69.57 -0.84 7.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.4 0.68 . . . . 0.0 112.762 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.0 -22.79 67.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.569 1.148 . . . . 0.0 111.286 169.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.02 155.05 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.34 1.056 . . . . 0.0 110.655 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.08 155.24 19.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.92 126.9 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.927 0.491 . . . . 0.0 110.299 169.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -150.61 169.89 20.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.265 1.026 . . . . 0.0 109.855 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 31.2 ptt-85 -82.08 166.15 19.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.772 -0.58 . . . . 0.0 110.205 169.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.73 -32.61 69.38 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -169.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.47 -44.05 80.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 112.049 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.14 -32.85 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.996 0.919 . . . . 0.0 110.295 -170.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.496 1.119 . . . . 0.0 112.516 177.795 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.12 149.21 21.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.059 -0.401 . . . . 0.0 111.539 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.9 133.36 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -126.8 161.9 27.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.791 1.237 . . . . 0.0 109.821 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.09 97.05 4.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 168.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.9 OUTLIER -108.38 142.64 38.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.244 1.018 . . . . 0.0 110.444 -178.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -92.16 170.21 10.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -59.54 139.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.314 0.578 . . . . 0.0 112.032 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -4.14 83.04 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.147 0.879 . . . . 0.0 113.855 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -92.22 172.38 8.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.767 1.283 . . . . 0.0 112.645 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 65.8 m -134.8 152.73 51.99 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.887 0.875 . . . . 0.0 112.445 -171.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 29.4 mt -140.24 156.29 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.033 1.733 . . . . 0.0 108.661 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -137.32 147.7 45.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.408 0.683 . . . . 0.0 112.216 -170.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.72 140.83 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.517 1.127 . . . . 0.0 109.213 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.63 -137.54 49.72 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -121.19 9.99 10.57 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.859 0.864 . . . . 0.0 111.89 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -137.43 -14.47 1.49 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -169.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.48 137.19 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 118.982 0.81 . . . . 0.0 110.521 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -132.88 140.73 48.04 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.282 1.033 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -122.51 143.69 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.574 1.55 . . . . 0.0 108.295 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.25 127.97 31.0 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.341 0.656 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.64 112.22 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' F' ' 31' ' ' ARG . 24.2 mt -85.99 -26.66 25.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.95 0.9 . . . . 0.0 110.937 -173.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.6 -173.8 33.68 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.076 0.37 . . . . 0.0 113.77 169.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.09 158.15 38.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 C-N-CA 123.407 0.683 . . . . 0.0 112.321 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 93.21 1.98 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.514 1.126 . . . . 0.0 109.292 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.58 -102.98 1.45 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.822 -0.549 . . . . 0.0 111.986 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -102.65 -14.93 16.51 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.725 0.762 . . . . 0.0 111.836 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -72.45 145.37 47.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.537 0.684 . . . . 0.0 110.013 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.64 110.4 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . 0.425 ' HG2' HD12 ' F' ' 23' ' ' LEU . 26.0 ttm180 -87.35 126.9 35.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -134.11 134.77 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.91 . . . . 0.0 110.521 -168.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.2 140.57 15.07 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.64 135.87 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.094 0.957 . . . . 0.0 109.11 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -137.1 109.97 7.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.571 0.748 . . . . 0.0 109.552 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.29 157.2 75.96 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.717 0.807 . . . . 0.0 111.479 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.1 162.15 36.9 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.195 2.596 . . . . 0.0 112.507 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.64 -12.15 59.8 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.699 0.8 . . . . 0.0 112.88 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.91 -20.78 66.63 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.992 1.317 . . . . 0.0 112.575 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -126.29 166.74 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.777 0.831 . . . . 0.0 111.1 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.61 157.8 15.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.173 0.589 . . . . 0.0 111.827 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.97 113.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.567 0.747 . . . . 0.0 110.305 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.08 167.03 28.95 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.681 0.792 . . . . 0.0 110.922 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -68.37 154.7 41.28 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 109.61 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.36 -23.67 67.51 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.49 -48.11 75.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.492 1.117 . . . . 0.0 110.99 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -81.9 -32.87 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.088 0.955 . . . . 0.0 110.195 -171.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.452 -0.37 0 C-N-CA 124.07 0.948 . . . . 0.0 112.167 176.719 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.122 -0.466 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.92 110.3 22.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.683 0.793 . . . . 0.0 109.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.11 132.11 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.761 0.824 . . . . 0.0 108.844 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -130.76 162.18 30.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.34 1.056 . . . . 0.0 109.791 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.7 m -126.23 129.39 48.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.77 162.43 27.44 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.554 0.742 . . . . 0.0 110.097 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -125.18 157.21 37.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.8 t -49.38 119.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 120.72 0.295 . . . . 0.0 110.826 -175.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.24 -5.03 52.15 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.815 1.198 . . . . 0.0 114.603 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -94.71 169.82 9.89 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.951 1.375 . . . . 0.0 112.346 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -139.39 161.11 38.26 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.6 mm -130.6 157.56 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 127.36 2.264 . . . . 0.0 107.918 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -129.95 144.31 51.26 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.607 1.163 . . . . 0.0 110.553 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.97 133.08 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.489 0.715 . . . . 0.0 109.461 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.46 -131.35 38.07 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -123.89 -1.77 8.32 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.04 0.936 . . . . 0.0 112.315 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.32 -15.61 2.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.9 mt -107.8 139.68 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.74 0.7 . . . . 0.0 110.722 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -138.24 140.94 39.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.337 1.055 . . . . 0.0 109.485 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 mm -120.81 144.73 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.726 1.21 . . . . 0.0 108.529 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -138.77 136.16 35.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.464 0.706 . . . . 0.0 110.382 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -86.37 103.35 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.76 -30.43 51.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.104 -0.372 . . . . 0.0 110.484 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.61 -177.63 45.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 169.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 142.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.113 0.965 . . . . 0.0 110.859 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -136.19 68.34 1.44 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.211 1.405 . . . . 0.0 109.759 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.46 -118.14 7.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -80.07 -10.73 59.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.393 0.677 . . . . 0.0 111.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.87 158.87 15.35 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.965 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.19 127.6 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.556 1.542 . . . . 0.0 108.389 -169.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt85 -102.62 103.56 13.87 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.537 0.608 . . . . 0.0 110.73 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -108.59 133.05 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.558 1.543 . . . . 0.0 109.339 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.05 139.62 14.85 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 123.866 0.746 . . . . 0.0 111.647 173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.84 138.36 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.251 1.42 . . . . 0.0 108.45 174.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -126.67 75.01 1.52 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.526 1.13 . . . . 0.0 109.243 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.26 154.07 43.05 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.175 1.39 . . . . 0.0 110.637 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 155.59 57.28 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.489 2.126 . . . . 0.0 110.581 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -67.74 -3.39 9.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -30.96 71.61 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.962 0.905 . . . . 0.0 111.663 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.48 144.03 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 122.079 0.942 . . . . 0.0 111.789 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.05 41.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.547 1.139 . . . . 0.0 111.553 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -129.03 119.66 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -148.79 -176.0 5.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.809 0.844 . . . . 0.0 110.594 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -125.29 167.49 14.82 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 170.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.32 -29.13 69.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.26 -5.39 41.76 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -120.0 -26.88 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.89 1.276 . . . . 0.0 110.929 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.3 t80 . . . . . 0 N--CA 1.453 -0.292 0 O-C-N 121.461 -0.774 . . . . 0.0 110.667 -174.679 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.87 121.32 43.61 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.87 139.52 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.843 0.457 . . . . 0.0 111.743 -165.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.32 132.49 41.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.274 1.03 . . . . 0.0 110.706 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 57.4 m -89.89 117.92 29.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 168.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' B' ' 10' ' ' GLU . 1.4 tpm_? -128.61 134.17 48.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 0.0 110.167 -168.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -96.77 160.33 14.43 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 118.689 0.677 . . . . 0.0 111.944 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.0 127.58 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.481 0.658 . . . . 0.0 110.835 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.91 -3.6 65.01 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.126 -0.943 . . . . 0.0 114.595 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.407 ' HB2' ' HG3' ' B' ' 6' ' ' ARG . 33.9 mt-10 -82.26 164.97 20.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.906 1.353 . . . . 0.0 111.645 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -128.18 149.01 50.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.344 1.058 . . . . 0.0 111.781 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 18.0 mt -132.27 153.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 126.068 1.747 . . . . 0.0 109.679 -173.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -137.08 140.65 42.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.712 -0.618 . . . . 0.0 111.856 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -134.52 133.27 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.167 0.987 . . . . 0.0 109.719 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.86 -137.73 50.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.94 0.73 10.33 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.664 0.786 . . . . 0.0 112.107 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.56 -16.47 9.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.804 0.842 . . . . 0.0 113.0 -172.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.48 134.15 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.593 0.711 . . . . 0.0 110.86 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -127.0 148.15 50.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.741 1.216 . . . . 0.0 109.531 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -130.15 145.68 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.879 1.672 . . . . 0.0 107.839 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -137.42 131.91 32.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.988 -0.445 . . . . 0.0 110.262 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.67 91.43 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.83 -30.75 71.01 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.735 -0.603 . . . . 0.0 111.51 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.14 -174.48 37.73 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 113.587 0.195 . . . . 0.0 113.587 170.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.07 150.77 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.357 0.663 . . . . 0.0 110.43 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.0 m -132.34 79.56 1.86 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.378 1.071 . . . . 0.0 108.977 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.07 -116.26 4.4 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -175.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -100.39 8.13 43.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.513 0.725 . . . . 0.0 110.778 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -98.93 154.32 18.15 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.875 1.27 . . . . 0.0 110.136 170.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.2 t -143.54 118.32 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.804 1.242 . . . . 0.0 108.884 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.9 125.05 37.32 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -131.8 131.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.888 0.875 . . . . 0.0 109.979 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.17 139.99 14.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -124.82 130.9 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.87 0.843 . . . . 0.0 109.564 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -133.0 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.536 -168.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.04 157.64 50.12 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.53 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -60.28 155.78 44.21 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 121.738 1.625 . . . . 0.0 109.903 168.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.878 0.871 . . . . 0.0 111.736 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.85 -24.21 66.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.959 1.704 . . . . 0.0 110.955 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.45 144.14 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.531 1.132 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.61 141.4 29.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.518 0.675 . . . . 0.0 111.231 171.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.6 99.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.832 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.92 168.11 21.63 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 122.86 0.464 . . . . 0.0 111.212 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 21.0 ptt-85 -79.26 162.09 25.89 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.805 0.442 . . . . 0.0 112.106 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.1 -43.76 70.68 Favored 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 123.432 0.693 . . . . 0.0 112.244 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.22 -3.85 8.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -107.21 -50.88 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.847 1.259 . . . . 0.0 110.085 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -49.01 -37.77 21.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.814 1.646 . . . . 0.0 112.253 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.8 -24.68 65.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -79.54 -40.52 29.36 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.718 0.69 . . . . 0.0 110.469 171.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.516 HG22 ' NE2' ' B' ' 52' ' ' GLN . 91.4 mt -64.07 -40.24 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.2 mm-40 -80.15 4.93 15.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.0 -20.53 38.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.127 0.571 . . . . 0.0 111.955 169.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.8 45.67 0.07 OUTLIER Glycine 0 C--N 1.338 0.649 0 CA-C-O 119.431 -0.649 . . . . 0.0 114.663 169.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.97 -176.41 2.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.939 0.87 . . . . 0.0 112.802 -168.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -125.51 -177.75 4.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.341 1.457 . . . . 0.0 109.208 167.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.88 126.09 1.97 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 124.163 0.985 . . . . 0.0 111.826 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -63.71 -176.39 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.575 2.85 . . . . 0.0 113.576 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 124.321 1.049 . . . . 0.0 112.637 174.401 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.08 108.7 17.35 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.14 134.29 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.989 0.916 . . . . 0.0 109.538 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -131.79 135.0 46.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.462 1.105 . . . . 0.0 110.102 170.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.3 p -98.76 139.23 34.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.151 0.58 . . . . 0.0 111.206 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.51 131.46 27.77 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.483 0.713 . . . . 0.0 110.623 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.5 tptm -74.86 156.11 36.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 168.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.51 136.29 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 O-C-N 121.551 -0.718 . . . . 0.0 111.733 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.82 -4.07 84.89 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.557 1.075 . . . . 0.0 114.222 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -86.49 174.83 8.7 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.173 1.487 . . . . 0.0 112.421 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -134.76 158.91 42.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' D' ' 44' ' ' ARG . 30.7 mm -143.23 153.14 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 128.345 2.658 . . . . 0.0 107.789 -172.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -133.19 147.65 52.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.297 -0.877 . . . . 0.0 112.15 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.06 130.61 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.415 1.086 . . . . 0.0 108.939 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -139.12 42.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.23 10.0 9.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.126 0.97 . . . . 0.0 112.005 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.17 -17.69 10.18 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.34 1.056 . . . . 0.0 113.088 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.51 139.74 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 118.842 0.746 . . . . 0.0 111.424 -169.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -128.38 140.7 51.71 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.915 1.286 . . . . 0.0 109.242 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.95 140.41 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.475 1.11 . . . . 0.0 108.441 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -137.74 130.08 29.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.018 -0.426 . . . . 0.0 110.414 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.96 123.94 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -98.55 -38.02 9.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -175.38 45.38 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.209 -0.519 . . . . 0.0 114.103 168.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -122.46 149.39 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.593 0.757 . . . . 0.0 110.589 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -143.0 102.16 3.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.677 1.191 . . . . 0.0 108.645 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.4 -127.62 20.71 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -169.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.51 -0.83 54.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.823 0.849 . . . . 0.0 112.124 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.82 153.44 24.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.847 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' D' ' 30' ' ' VAL . 42.5 t -133.97 123.02 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.95 1.3 . . . . 0.0 108.003 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -86.25 112.33 21.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.55 130.89 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.756 1.223 . . . . 0.0 109.065 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 137.28 13.16 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 124.055 0.836 . . . . 0.0 111.529 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.08 123.19 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.497 1.119 . . . . 0.0 108.609 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.13 93.66 3.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.812 0.445 . . . . 0.0 110.003 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.98 154.36 81.69 Favored Pre-proline 0 N--CA 1.453 -0.301 0 C-N-CA 124.476 1.11 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.61 151.69 74.05 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.506 2.137 . . . . 0.0 110.926 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -65.08 -1.0 1.86 Allowed 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.525 0.73 . . . . 0.0 112.453 172.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.03 -19.81 65.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.831 0.853 . . . . 0.0 111.648 168.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.37 141.33 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.237 1.015 . . . . 0.0 110.303 174.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.74 23.6 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.205 -0.309 . . . . 0.0 111.313 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -137.74 133.57 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.59 . . . . 0.0 110.138 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.44 163.63 38.31 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.826 0.85 . . . . 0.0 111.367 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.74 159.36 19.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 166.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.83 -35.12 68.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -67.38 -26.68 66.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.2 mm -91.77 -37.41 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.454 0.702 . . . . 0.0 110.371 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -51.56 -36.64 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.147 0.979 . . . . 0.0 112.513 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.32 -30.57 66.78 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.396 0.678 . . . . 0.0 111.858 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.413 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.464 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.785 -0.08 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -113.65 114.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.618 1.567 . . . . 0.0 108.197 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.464 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -99.28 136.7 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.607 1.163 . . . . 0.0 109.461 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.01 142.76 27.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.313 1.445 . . . . 0.0 108.586 -168.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.48 117.37 30.18 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -171.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -124.95 131.89 53.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.735 0.814 . . . . 0.0 111.131 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -76.74 156.23 32.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.676 0.671 . . . . 0.0 110.881 169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.702 HG11 HG12 ' D' ' 25' ' ' VAL . 23.8 m -48.81 137.78 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.943 169.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.99 -3.69 86.81 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.383 0.992 . . . . 0.0 114.121 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -95.46 170.86 9.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.991 1.396 . . . . 0.0 112.068 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -127.42 155.26 43.94 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mt -137.59 160.07 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 127.51 2.324 . . . . 0.0 108.212 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -138.16 149.21 45.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.264 -0.897 . . . . 0.0 111.759 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.89 135.96 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.679 1.192 . . . . 0.0 109.083 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.53 -137.72 49.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.24 7.67 9.69 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.013 0.925 . . . . 0.0 111.824 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.72 -11.5 3.45 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -171.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.02 136.17 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.751 0.705 . . . . 0.0 110.719 -172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 59.7 m -122.46 149.71 43.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.404 1.082 . . . . 0.0 109.938 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -132.15 144.11 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.1 1.76 . . . . 0.0 107.576 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -142.34 132.08 24.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.878 -0.514 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -86.96 90.06 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.22 -36.5 77.85 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.752 0.421 . . . . 0.0 110.687 -172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.43 -175.78 45.52 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-O 121.294 0.385 . . . . 0.0 112.983 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.702 HG12 HG11 ' D' ' 8' ' ' VAL . 10.3 p -124.74 134.21 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.806 1.242 . . . . 0.0 109.807 -177.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.2 m -135.68 89.76 2.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.944 0.898 . . . . 0.0 110.021 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.53 -114.15 5.77 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.458 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -101.52 -2.55 30.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.422 0.689 . . . . 0.0 110.822 173.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -76.41 155.27 34.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.528 0.68 . . . . 0.0 111.395 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' C' ' 30' ' ' VAL . 76.6 t -129.57 120.85 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 169.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -95.17 102.64 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.529 1.132 . . . . 0.0 108.517 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.19 124.54 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.564 0.745 . . . . 0.0 109.954 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.63 133.05 11.41 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -121.77 139.32 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.814 0.846 . . . . 0.0 108.759 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.07 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.155 0.582 . . . . 0.0 109.76 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.64 156.97 60.75 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.483 1.113 . . . . 0.0 109.815 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -61.67 151.46 80.29 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.082 1.855 . . . . 0.0 110.306 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.18 -0.95 1.92 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.297 0.639 . . . . 0.0 112.423 169.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -65.93 -24.11 66.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.855 1.262 . . . . 0.0 111.062 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.99 159.58 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.673 1.189 . . . . 0.0 110.539 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 157.13 16.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.141 0.577 . . . . 0.0 111.793 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.95 125.35 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.816 -0.552 . . . . 0.0 110.894 169.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -148.09 171.63 15.56 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.87 0.868 . . . . 0.0 111.845 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' C' ' 12' ' ' ILE . 71.4 mtm-85 -71.23 157.27 38.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 169.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.18 -29.1 70.23 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.806 -0.559 . . . . 0.0 111.8 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.49 -25.98 61.62 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.86 0.864 . . . . 0.0 112.801 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -88.05 -38.42 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.504 1.122 . . . . 0.0 110.784 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.47 -40.74 68.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.135 0.974 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.89 -22.09 66.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -76.85 -37.06 56.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.724 0.81 . . . . 0.0 111.563 172.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -173.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.104 0.478 . . . . 0.0 109.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.7 136.62 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.613 1.165 . . . . 0.0 109.919 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.5 165.01 25.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.038 1.735 . . . . 0.0 110.66 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.65 7.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 167.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -115.48 128.52 56.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.997 1.719 . . . . 0.0 109.512 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -93.17 167.58 11.67 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 120.024 1.284 . . . . 0.0 112.589 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -60.82 138.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.588 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.74 84.64 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.132 0.872 . . . . 0.0 113.917 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -95.0 174.79 6.91 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.548 1.174 . . . . 0.0 111.691 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -133.79 157.3 46.25 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -169.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -138.38 159.42 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 126.957 2.103 . . . . 0.0 108.045 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -138.31 150.99 47.16 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.329 -0.857 . . . . 0.0 113.189 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -137.44 138.62 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.746 1.218 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -138.88 48.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.72 10.11 7.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.956 0.902 . . . . 0.0 112.388 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.37 -12.13 5.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.44 135.29 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 119.309 0.959 . . . . 0.0 111.313 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.3 m -124.46 144.24 50.19 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.52 1.128 . . . . 0.0 109.989 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -124.64 139.65 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.164 1.386 . . . . 0.0 108.219 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.32 130.79 39.35 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.968 0.507 . . . . 0.0 110.09 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.26 103.14 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.13 -28.71 57.54 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.085 -0.385 . . . . 0.0 111.144 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -171.46 34.62 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.016 0.341 . . . . 0.0 113.841 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.5 158.85 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.809 0.843 . . . . 0.0 112.309 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.98 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.677 1.191 . . . . 0.0 109.295 168.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.79 -111.9 3.84 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.509 -0.745 . . . . 0.0 111.668 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -92.06 -17.79 24.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.77 0.785 . . . . 0.0 111.488 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.47 143.87 44.46 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.526 0.679 . . . . 0.0 110.049 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.28 112.91 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -85.7 125.79 33.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -133.42 135.1 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.334 0.653 . . . . 0.0 110.31 -169.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.23 143.36 15.65 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.526 1.06 . . . . 0.0 111.691 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -133.18 123.87 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.847 1.259 . . . . 0.0 108.915 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -124.06 99.58 6.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.153 0.581 . . . . 0.0 109.684 -172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.41 155.82 71.89 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.336 1.054 . . . . 0.0 110.455 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.95 159.0 35.7 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.825 2.35 . . . . 0.0 111.949 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -69.09 -0.91 6.46 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.413 0.685 . . . . 0.0 112.575 169.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.01 -23.45 67.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.758 1.223 . . . . 0.0 111.518 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -121.93 156.0 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.329 1.052 . . . . 0.0 110.848 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.11 155.68 17.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.713 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.09 125.09 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.069 0.548 . . . . 0.0 110.044 170.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -150.0 163.45 38.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.861 0.865 . . . . 0.0 110.662 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -69.0 159.56 32.59 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.48 -28.14 69.76 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.054 -0.404 . . . . 0.0 111.403 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.15 -45.08 79.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -83.83 -33.69 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.088 0.955 . . . . 0.0 109.88 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.926 0.891 . . . . 0.0 112.63 179.059 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.11 147.58 22.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.017 -0.427 . . . . 0.0 111.525 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.07 137.46 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.131 0.973 . . . . 0.0 108.643 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt -136.63 164.97 26.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.402 1.081 . . . . 0.0 109.366 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.22 97.96 4.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 169.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -104.9 162.05 13.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.518 1.127 . . . . 0.0 110.361 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.78 168.57 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -55.32 134.16 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.209 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.39 68.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.422 1.011 . . . . 0.0 114.685 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -91.14 175.44 6.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.06 1.43 . . . . 0.0 112.588 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -136.54 155.56 49.78 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.5 0.72 . . . . 0.0 112.775 -172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 36.7 mt -137.28 152.8 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 126.184 1.794 . . . . 0.0 108.764 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -120.66 148.74 43.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.879 0.872 . . . . 0.0 112.382 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.46 141.02 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.632 1.173 . . . . 0.0 108.758 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -135.25 52.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -120.9 3.95 10.51 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.044 0.938 . . . . 0.0 112.047 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.45 -12.56 1.36 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.4 137.24 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.187 0.903 . . . . 0.0 110.5 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -126.89 142.64 51.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.258 1.023 . . . . 0.0 110.35 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -123.22 134.7 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.46 1.504 . . . . 0.0 108.406 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.09 133.75 44.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.469 0.708 . . . . 0.0 110.051 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -95.39 106.21 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.63 -30.78 41.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.01 -0.431 . . . . 0.0 110.771 -171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 -176.04 34.61 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.037 0.351 . . . . 0.0 113.392 169.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.84 153.0 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.688 0.795 . . . . 0.0 111.853 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -141.91 89.9 2.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.084 1.354 . . . . 0.0 108.884 169.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.26 -103.25 1.05 Allowed Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.936 -0.477 . . . . 0.0 112.025 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -98.73 -22.18 16.02 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 117.567 0.683 . . . . 0.0 112.107 171.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -71.6 141.87 50.0 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 109.905 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -131.66 115.67 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -87.58 120.2 28.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.95 138.7 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.242 1.017 . . . . 0.0 109.564 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.57 16.6 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.904 0.764 . . . . 0.0 111.351 172.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.9 mt -131.84 130.51 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.47 1.108 . . . . 0.0 109.508 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -125.15 107.02 10.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.68 157.8 77.06 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 123.989 0.915 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.09 161.95 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.046 2.498 . . . . 0.0 112.283 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.9 -4.32 12.53 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.58 -24.18 66.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.237 1.415 . . . . 0.0 112.137 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -127.13 164.15 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.257 1.023 . . . . 0.0 110.974 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.33 13.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.087 0.555 . . . . 0.0 111.437 169.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.0 122.53 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.494 0.718 . . . . 0.0 109.831 171.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -153.06 175.28 13.16 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.721 0.808 . . . . 0.0 110.793 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -74.63 161.15 29.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -62.24 -30.45 71.12 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.144 -0.347 . . . . 0.0 111.771 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.02 -40.53 73.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.28 1.032 . . . . 0.0 111.79 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.92 -35.55 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.233 1.013 . . . . 0.0 110.447 -171.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.696 1.598 . . . . 0.0 112.348 175.411 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 118.983 -0.532 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 113.08 24.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.87 0.868 . . . . 0.0 109.646 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.77 136.31 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.926 0.891 . . . . 0.0 109.537 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.98 159.4 40.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.44 1.096 . . . . 0.0 110.066 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 m -128.02 100.93 6.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.776 0.83 . . . . 0.0 108.9 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -123.6 159.05 30.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.029 0.532 . . . . 0.0 111.11 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -110.0 161.71 15.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.991 0.917 . . . . 0.0 110.764 -168.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.96 123.77 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.859 0.464 . . . . 0.0 110.646 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.51 -2.73 65.23 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.469 1.033 . . . . 0.0 114.089 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -95.89 166.78 11.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.73 1.265 . . . . 0.0 112.139 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -132.9 152.78 51.82 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -168.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 3.5 mm -116.08 157.59 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 126.207 1.803 . . . . 0.0 109.808 169.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.41 136.86 48.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.186 0.995 . . . . 0.0 110.823 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.5 136.17 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.606 1.163 . . . . 0.0 110.05 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.49 -129.81 28.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -125.79 -1.78 7.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.895 0.878 . . . . 0.0 112.338 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -135.91 -18.78 1.58 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -100.96 136.68 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.865 0.757 . . . . 0.0 110.301 -172.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -135.6 144.22 46.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.615 0.766 . . . . 0.0 109.331 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -126.0 142.34 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 108.514 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -136.65 130.57 32.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.012 0.525 . . . . 0.0 110.077 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.33 101.95 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 169.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.22 -30.83 60.7 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.172 -0.33 . . . . 0.0 110.206 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -177.5 42.52 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 113.874 0.309 . . . . 0.0 113.874 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.82 152.98 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.312 1.045 . . . . 0.0 111.084 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -136.71 60.91 1.65 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.452 1.101 . . . . 0.0 109.677 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.59 -120.17 5.3 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.08 -12.63 56.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.513 0.725 . . . . 0.0 111.95 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -99.06 152.99 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.869 0.842 . . . . 0.0 112.0 170.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.19 138.2 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.63 1.972 . . . . 0.0 108.421 -169.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -119.59 104.29 10.16 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.44 136.94 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.824 1.649 . . . . 0.0 109.537 -170.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 139.26 14.69 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.762 0.696 . . . . 0.0 111.614 170.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.72 136.43 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.102 1.361 . . . . 0.0 108.353 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -123.81 74.99 1.31 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.529 1.132 . . . . 0.0 109.267 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.9 153.72 44.39 Favored Pre-proline 0 N--CA 1.453 -0.276 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.702 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.58 153.31 60.1 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.491 2.127 . . . . 0.0 110.569 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -66.49 -7.24 18.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.07 -26.56 66.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.991 0.917 . . . . 0.0 112.25 170.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.36 144.07 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.066 0.936 . . . . 0.0 112.145 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.53 143.04 40.64 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.089 1.355 . . . . 0.0 111.79 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.7 t -129.2 120.97 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.69 172.47 14.01 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.661 0.784 . . . . 0.0 111.468 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.17 159.57 14.86 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.646 0.778 . . . . 0.0 109.852 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.7 -25.79 66.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.068 0.849 . . . . 0.0 112.189 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -75.66 -7.39 54.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.64 -28.65 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 C-N-CA 124.423 1.089 . . . . 0.0 111.273 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.6 t80 . . . . . 0 N--CA 1.451 -0.404 0 O-C-N 121.423 -0.798 . . . . 0.0 110.506 -175.303 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -111.35 119.76 39.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.308 1.443 . . . . 0.0 107.19 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.56 137.06 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -165.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.6 144.16 37.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.686 1.194 . . . . 0.0 110.863 -170.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.5 m -111.76 125.73 54.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.401 0.68 . . . . 0.0 109.588 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' B' ' 12' ' ' ILE . 6.4 mmp_? -133.24 139.54 47.01 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.484 1.113 . . . . 0.0 111.021 -174.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -81.71 155.4 25.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.904 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.58 130.25 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.11 -5.92 63.57 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.786 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -92.25 162.58 14.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.174 1.487 . . . . 0.0 111.984 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -128.69 156.54 43.32 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' B' ' 6' ' ' ARG . 38.3 mm -141.13 150.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.266 2.226 . . . . 0.0 108.482 -170.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.16 142.61 49.53 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 121.203 -0.936 . . . . 0.0 111.509 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.33 130.16 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.032 0.933 . . . . 0.0 109.659 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.41 50.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -125.04 5.04 7.93 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.869 0.868 . . . . 0.0 112.769 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -115.63 -20.62 10.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.91 136.79 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.003 0.82 . . . . 0.0 111.395 -169.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -130.43 147.65 52.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.008 1.323 . . . . 0.0 109.609 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -130.33 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.679 1.592 . . . . 0.0 108.172 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -135.8 130.98 34.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.782 0.433 . . . . 0.0 110.295 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.73 109.27 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 169.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -80.49 -30.5 37.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.772 -0.58 . . . . 0.0 111.143 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 179.97 36.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 113.424 0.129 . . . . 0.0 113.424 170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.9 151.69 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.359 0.664 . . . . 0.0 110.848 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -132.95 79.47 1.84 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.801 1.24 . . . . 0.0 108.565 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.61 -114.97 4.61 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.97 7.38 39.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.743 0.817 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.89 146.63 25.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.596 1.158 . . . . 0.0 109.357 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.01 119.7 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 109.593 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 120.76 30.74 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.882 1.273 . . . . 0.0 109.469 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.24 133.69 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.11 0.964 . . . . 0.0 109.921 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.28 139.56 14.53 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mt -122.55 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 123.957 0.903 . . . . 0.0 108.815 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -131.84 80.73 1.93 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.532 -167.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.84 157.15 72.52 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.467 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -57.36 153.48 40.43 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.708 1.605 . . . . 0.0 110.399 169.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -68.39 -0.62 5.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.103 0.561 . . . . 0.0 111.88 170.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -29.53 69.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.403 1.481 . . . . 0.0 111.58 172.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -105.21 144.11 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.251 1.02 . . . . 0.0 110.401 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.83 28.38 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.722 0.772 . . . . 0.0 111.33 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.76 95.75 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 -166.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.49 157.52 44.66 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.755 -0.59 . . . . 0.0 111.29 176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.8 ptt-85 -67.41 155.76 38.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.537 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -54.39 -41.1 68.86 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.36 0.664 . . . . 0.0 112.479 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.73 -23.17 67.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -87.32 -50.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.215 1.006 . . . . 0.0 110.414 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -51.32 -35.9 40.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.663 1.185 . . . . 0.0 112.043 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.37 -21.06 62.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.69 -37.18 27.8 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.373 0.988 . . . . 0.0 110.62 169.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.484 HG22 ' NE2' ' B' ' 52' ' ' GLN . 88.9 mt -64.58 -41.67 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.484 ' NE2' HG22 ' B' ' 51' ' ' ILE . 37.3 mm-40 -79.35 5.09 13.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 172.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.77 -20.74 41.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.009 0.523 . . . . 0.0 111.896 169.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.97 46.16 0.06 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-O 119.347 -0.696 . . . . 0.0 114.679 168.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.0 -176.18 2.56 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.022 0.911 . . . . 0.0 112.894 -168.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 9.3 m -122.71 170.56 9.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.309 1.444 . . . . 0.0 108.537 168.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.96 118.77 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.078 1.351 . . . . 0.0 111.891 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 48.6 Cg_exo -66.19 176.46 3.9 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.595 2.197 . . . . 0.0 113.311 -170.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.108 0.963 . . . . 0.0 112.544 177.608 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.37 108.7 19.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 166.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.57 135.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.837 0.855 . . . . 0.0 109.842 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -128.78 134.97 48.56 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.761 0.824 . . . . 0.0 109.487 168.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -92.66 144.76 25.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 110.094 169.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.406 HH11 ' HB2' ' C' ' 6' ' ' ARG . 1.5 mtp-105 -146.08 164.0 33.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 171.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.7 tptm -100.36 155.54 17.74 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.934 0.894 . . . . 0.0 109.369 170.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.74 134.18 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 118.189 0.45 . . . . 0.0 111.596 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.85 -7.07 64.88 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.946 1.26 . . . . 0.0 114.743 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.12 175.31 6.99 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.342 1.571 . . . . 0.0 112.976 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -128.52 153.04 47.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.6 156.83 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.547 2.339 . . . . 0.0 108.392 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -125.3 148.84 48.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.887 0.875 . . . . 0.0 111.91 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.22 131.8 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.543 1.137 . . . . 0.0 108.721 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.09 -138.22 43.11 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -170.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -122.19 9.91 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.184 0.993 . . . . 0.0 111.947 169.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -118.48 -17.71 9.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.366 1.066 . . . . 0.0 113.223 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.42 140.87 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.774 0.715 . . . . 0.0 111.099 -169.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -129.11 140.8 51.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.758 1.223 . . . . 0.0 109.395 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -119.27 135.61 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.829 1.252 . . . . 0.0 108.737 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -128.89 133.56 47.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.335 0.654 . . . . 0.0 109.79 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 tp -94.7 126.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.54 -38.98 7.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -171.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.46 -173.53 44.9 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.846 168.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.28 155.06 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -144.44 102.94 3.9 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.552 1.141 . . . . 0.0 108.965 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.91 -119.49 15.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -171.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.43 -0.56 43.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.087 0.955 . . . . 0.0 111.843 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 23.5 mt-30 -88.56 155.23 19.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.647 0.737 . . . . 0.0 111.66 173.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.57 122.64 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.086 1.354 . . . . 0.0 108.266 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -84.26 113.72 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 mt -118.05 132.26 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.358 1.463 . . . . 0.0 109.511 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.55 140.23 15.01 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.315 0.959 . . . . 0.0 111.949 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.14 127.93 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.582 1.153 . . . . 0.0 108.384 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -128.33 95.13 4.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.082 -0.386 . . . . 0.0 110.247 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.92 157.23 78.25 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 124.654 1.181 . . . . 0.0 110.254 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.21 151.22 83.43 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.522 2.148 . . . . 0.0 111.01 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.28 -0.99 2.91 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.265 0.626 . . . . 0.0 112.645 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.88 -22.24 66.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.321 1.048 . . . . 0.0 111.508 169.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.62 147.14 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.113 0.965 . . . . 0.0 110.406 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.58 156.76 20.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.594 0.358 . . . . 0.0 111.393 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -137.78 131.61 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.182 0.593 . . . . 0.0 109.817 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -155.1 164.24 39.14 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.365 0.666 . . . . 0.0 111.788 -174.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -75.56 157.29 34.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 166.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.78 -35.81 77.37 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.591 0.632 . . . . 0.0 111.69 -175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.68 -17.58 61.63 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.56 -36.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.672 0.789 . . . . 0.0 110.616 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -52.63 -34.83 53.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.087 1.355 . . . . 0.0 112.5 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -59.49 -29.46 67.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.768 0.827 . . . . 0.0 112.428 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.09 -36.56 77.72 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.637 0.775 . . . . 0.0 111.816 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.424 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.454 -0.238 0 O-C-N 121.927 -0.483 . . . . 0.0 109.808 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.475 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.2 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -116.21 115.23 25.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.202 1.801 . . . . 0.0 106.867 166.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -100.43 134.99 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 109.429 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 55.1 mt -123.66 171.15 9.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.153 1.381 . . . . 0.0 110.12 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.64 109.88 8.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.04 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.35 148.92 45.54 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.784 0.834 . . . . 0.0 110.822 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 14.2 mmtp -76.96 160.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.207 0.527 . . . . 0.0 111.561 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.88 138.69 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.41 0.684 . . . . 0.0 111.345 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.34 -4.97 85.84 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.16 0.886 . . . . 0.0 113.917 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.99 167.6 13.56 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.952 1.376 . . . . 0.0 112.463 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.03 154.45 44.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.831 0.852 . . . . 0.0 112.4 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -144.27 160.57 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 127.466 2.307 . . . . 0.0 107.973 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -139.88 152.27 46.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.223 -0.923 . . . . 0.0 112.71 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.07 138.75 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.039 1.335 . . . . 0.0 109.001 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.02 -136.05 50.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.92 10.03 8.21 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.316 1.046 . . . . 0.0 111.573 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -134.41 -11.88 2.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -170.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.43 137.06 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.788 0.722 . . . . 0.0 110.559 -172.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 46.5 m -120.25 145.48 46.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.396 1.078 . . . . 0.0 109.924 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -127.07 139.12 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.532 1.533 . . . . 0.0 107.843 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 9.4 m -136.01 128.13 29.8 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.63 105.25 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.28 -30.29 48.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.126 0.57 . . . . 0.0 110.59 -173.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.56 -172.11 39.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 169.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -111.75 161.02 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.492 0.717 . . . . 0.0 110.745 169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -144.63 77.06 1.52 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.594 0.758 . . . . 0.0 109.711 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.47 -114.44 3.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -174.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.8 mp0 -95.64 -1.29 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.401 0.68 . . . . 0.0 110.179 171.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.38 154.63 34.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.461 0.648 . . . . 0.0 112.363 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.19 120.99 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.716 1.606 . . . . 0.0 107.205 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -95.68 114.64 26.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.454 1.102 . . . . 0.0 108.58 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.03 129.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.217 0.607 . . . . 0.0 110.409 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.22 136.77 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.74 140.74 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 171.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -137.98 90.88 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.233 0.613 . . . . 0.0 109.543 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.91 156.73 65.17 Favored Pre-proline 0 N--CA 1.452 -0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.139 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.72 152.01 83.56 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.392 2.061 . . . . 0.0 110.535 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -69.95 -1.03 8.47 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.85 -22.23 65.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.616 1.166 . . . . 0.0 111.308 168.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -126.19 160.08 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.401 1.08 . . . . 0.0 110.657 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.68 157.02 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.053 0.541 . . . . 0.0 112.075 -175.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.8 124.08 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 122.844 0.458 . . . . 0.0 110.501 169.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.71 161.25 42.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.354 0.662 . . . . 0.0 112.291 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -64.86 156.0 32.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.698 0.399 . . . . 0.0 109.999 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.02 -33.14 70.4 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.031 0.532 . . . . 0.0 111.957 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.12 -47.62 85.13 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.055 0.942 . . . . 0.0 111.641 172.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -74.26 -39.5 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 124.29 1.036 . . . . 0.0 110.305 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -51.53 -38.46 54.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.4 -24.25 62.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.92 -36.36 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.283 0.947 . . . . 0.0 110.176 170.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -171.368 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.747 0.308 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.88 140.22 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.825 1.25 . . . . 0.0 109.59 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -137.86 160.33 39.57 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.159 1.383 . . . . 0.0 111.221 -171.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.79 100.7 4.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 166.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.6 mmp_? -117.77 143.16 46.5 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 124.61 1.164 . . . . 0.0 112.167 -168.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -85.45 159.17 20.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.745 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -59.21 135.54 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 111.257 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -7.89 77.64 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.204 0.907 . . . . 0.0 114.44 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.33 164.65 16.14 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.075 1.438 . . . . 0.0 111.913 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -136.26 152.73 51.03 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.414 HD11 ' CD ' ' E' ' 6' ' ' ARG . 45.1 mm -137.94 150.96 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 126.972 2.109 . . . . 0.0 108.156 -170.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -132.05 144.37 50.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.335 -0.853 . . . . 0.0 112.009 -169.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -134.4 139.7 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.59 1.156 . . . . 0.0 109.207 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.04 -134.42 52.4 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.43 9.66 7.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.648 0.779 . . . . 0.0 111.54 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -136.49 -8.52 1.94 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.45 134.86 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.947 0.794 . . . . 0.0 110.506 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -128.54 142.42 51.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.008 0.923 . . . . 0.0 110.459 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -120.37 140.48 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.722 1.609 . . . . 0.0 108.092 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -137.59 126.15 23.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.12 0.568 . . . . 0.0 109.997 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -75.45 111.13 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 169.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.51 -35.08 53.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.158 -0.339 . . . . 0.0 110.147 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 178.5 31.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.077 0.37 . . . . 0.0 113.388 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.46 156.94 6.95 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 123.539 0.735 . . . . 0.0 111.909 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.6 89.93 1.74 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.5 1.12 . . . . 0.0 109.521 169.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 -109.45 2.88 Favored Glycine 0 CA--C 1.525 0.679 0 O-C-N 121.698 -0.627 . . . . 0.0 111.765 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -95.0 -22.29 18.04 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.61 0.705 . . . . 0.0 111.776 171.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -73.28 146.11 45.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.344 0.592 . . . . 0.0 110.199 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.82 116.01 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -89.65 123.69 33.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.49 126.9 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.97 0.908 . . . . 0.0 110.191 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.04 142.1 16.68 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.077 0.846 . . . . 0.0 111.55 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -134.49 123.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.019 1.327 . . . . 0.0 108.779 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -125.14 99.93 6.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.065 0.546 . . . . 0.0 109.556 -170.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.32 155.55 73.97 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 124.476 1.11 . . . . 0.0 110.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.86 158.62 46.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.161 2.574 . . . . 0.0 112.148 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -72.48 -0.88 13.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 172.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.82 -21.62 66.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.289 1.036 . . . . 0.0 111.514 169.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -124.19 159.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.168 0.987 . . . . 0.0 110.705 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.53 155.99 16.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.08 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . 0.402 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.83 125.26 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.984 0.514 . . . . 0.0 110.273 169.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -151.42 169.41 22.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.58 1.152 . . . . 0.0 109.589 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 29.6 ptt-85 -78.5 166.46 22.57 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.622 -0.674 . . . . 0.0 110.523 169.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.41 -26.06 68.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.14 -48.97 79.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.046 0.938 . . . . 0.0 111.888 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -79.79 -32.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.716 0.806 . . . . 0.0 109.878 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.404 1.082 . . . . 0.0 112.824 179.659 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . 0.402 HD12 HG13 ' E' ' 42' ' ' VAL . 7.8 mt -93.5 150.91 20.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.881 -0.512 . . . . 0.0 111.55 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.36 124.84 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.44 152.04 29.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.458 1.503 . . . . 0.0 109.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 106.78 12.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 54.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.092 1.357 . . . . 0.0 110.002 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.11 165.13 13.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.33 0.968 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.54 136.1 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.294 -169.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.89 76.7 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.297 0.951 . . . . 0.0 114.109 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.69 172.16 7.88 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.628 1.214 . . . . 0.0 111.693 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -134.57 157.31 46.89 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 54.1 mt -136.41 154.74 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 126.256 1.822 . . . . 0.0 108.735 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.21 148.02 51.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.802 0.841 . . . . 0.0 111.828 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -135.14 140.21 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.386 1.074 . . . . 0.0 109.193 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.38 -138.01 49.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.82 9.88 11.46 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.927 0.891 . . . . 0.0 111.706 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.82 -14.86 1.05 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.6 138.96 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.328 0.967 . . . . 0.0 110.706 -172.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -128.63 141.01 51.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.031 0.933 . . . . 0.0 110.53 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -120.34 140.53 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.669 1.588 . . . . 0.0 108.203 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -133.8 128.45 34.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.039 0.536 . . . . 0.0 109.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.13 106.2 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 169.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.29 -28.62 42.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.426 0.69 . . . . 0.0 110.897 -173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.84 -172.16 35.6 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.318 0.485 . . . . 0.0 112.871 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.01 149.3 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.365 0.666 . . . . 0.0 111.194 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -139.24 89.91 2.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.774 1.23 . . . . 0.0 108.534 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.85 -124.49 34.33 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -172.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -79.14 -18.36 53.3 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.08 143.88 33.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.375 0.607 . . . . 0.0 110.36 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 76.0 t -131.73 121.01 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm105 -91.61 124.7 35.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.957 0.903 . . . . 0.0 109.026 -172.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.68 146.41 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.697 0.799 . . . . 0.0 110.527 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.81 143.69 15.93 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.953 0.787 . . . . 0.0 111.455 172.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.62 129.63 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 109.651 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -124.53 109.39 13.17 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 157.2 74.73 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 123.739 0.816 . . . . 0.0 111.328 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.52 161.87 36.47 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.064 2.509 . . . . 0.0 112.369 172.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.32 -4.31 10.45 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.416 0.686 . . . . 0.0 112.749 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -24.4 66.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.338 1.455 . . . . 0.0 112.333 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -124.0 164.3 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.928 0.891 . . . . 0.0 111.268 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.19 15.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.305 0.642 . . . . 0.0 111.226 169.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.06 125.5 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.051 0.54 . . . . 0.0 110.406 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -154.1 171.6 18.85 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 110.944 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -82.16 161.92 22.62 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.102 -0.374 . . . . 0.0 109.999 167.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -18.69 65.51 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -170.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.97 -41.6 87.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.54 0.736 . . . . 0.0 111.231 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -88.72 -36.11 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.778 0.831 . . . . 0.0 109.924 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 123.589 0.756 . . . . 0.0 112.629 -179.752 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 108.63 21.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.579 0.751 . . . . 0.0 109.493 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.76 135.23 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.629 0.772 . . . . 0.0 109.204 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -133.36 159.17 41.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.59 1.156 . . . . 0.0 109.652 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.5 m -122.74 100.96 7.18 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -95.94 166.65 11.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.922 0.489 . . . . 0.0 110.365 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -129.1 157.0 42.99 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.66 121.25 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.939 0.495 . . . . 0.0 110.945 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.91 -4.84 57.76 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.755 1.169 . . . . 0.0 114.647 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -92.75 165.57 12.88 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.909 1.354 . . . . 0.0 112.034 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -137.31 149.39 47.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -169.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 24.8 mm -113.2 153.79 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 125.848 1.659 . . . . 0.0 109.548 169.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -125.69 138.11 53.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.559 1.144 . . . . 0.0 109.831 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -132.9 131.57 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.134 0.973 . . . . 0.0 109.532 -171.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.05 -127.03 27.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.0 0.76 5.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.704 0.802 . . . . 0.0 112.353 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -135.05 -21.27 1.65 Allowed 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 mt -102.28 138.89 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.407 0.683 . . . . 0.0 110.36 -170.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -135.25 145.28 47.44 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.774 0.829 . . . . 0.0 109.663 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.87 141.09 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.822 1.249 . . . . 0.0 108.334 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -139.53 135.96 34.0 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.498 0.59 . . . . 0.0 110.316 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -85.22 99.82 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -25.15 58.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.723 -0.611 . . . . 0.0 110.719 -175.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.22 42.36 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 118.148 0.431 . . . . 0.0 113.853 169.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -130.58 155.23 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.044 0.938 . . . . 0.0 111.685 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -141.6 65.71 1.37 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.893 1.277 . . . . 0.0 109.996 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.22 -119.98 5.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -80.82 -4.41 54.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.194 0.598 . . . . 0.0 111.786 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -99.22 159.93 14.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.88 0.848 . . . . 0.0 112.745 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.78 128.36 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.0 1.72 . . . . 0.0 108.441 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -104.67 101.96 11.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.068 0.947 . . . . 0.0 110.397 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -108.2 130.48 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.184 1.394 . . . . 0.0 109.386 -174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.39 141.27 15.24 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.709 0.671 . . . . 0.0 111.599 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 mt -120.99 131.23 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.317 1.447 . . . . 0.0 108.025 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.23 74.99 1.27 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.23 1.014 . . . . 0.0 109.261 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.79 153.45 39.29 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.837 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.67 154.22 59.54 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.505 2.136 . . . . 0.0 110.509 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -68.11 -5.97 20.55 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -67.36 -25.6 66.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.984 0.914 . . . . 0.0 112.146 169.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -117.24 144.04 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.013 0.911 . . . . 0.0 111.909 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.84 143.07 44.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.392 1.077 . . . . 0.0 111.46 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.15 120.16 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.033 0.533 . . . . 0.0 109.699 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -148.66 -175.92 5.12 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.847 0.859 . . . . 0.0 110.699 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -124.89 170.1 11.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 170.349 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -59.7 -39.49 84.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -71.36 -6.53 40.8 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.91 -28.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 110.869 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.45 -0.428 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -175.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.18 121.98 41.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 107.133 169.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.68 139.83 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.903 0.481 . . . . 0.0 111.675 -165.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.07 140.33 46.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.578 1.151 . . . . 0.0 110.587 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -116.82 102.94 9.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -128.23 159.19 36.0 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.216 1.006 . . . . 0.0 110.828 -169.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -91.88 165.93 12.99 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.82 135.96 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.238 0.542 . . . . 0.0 110.819 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.06 78.73 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.138 -0.812 . . . . 0.0 114.42 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.77 158.16 25.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 119.104 1.452 . . . . 0.0 112.232 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -125.7 144.75 50.47 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.422 1.089 . . . . 0.0 111.37 -173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 14.1 mt -136.7 153.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.51 1.524 . . . . 0.0 109.57 -169.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -137.31 140.56 41.61 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.696 -0.628 . . . . 0.0 112.378 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.72 132.43 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 124.169 0.988 . . . . 0.0 109.802 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.74 -139.41 48.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -119.05 0.83 11.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.35 -20.32 9.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.542 0.737 . . . . 0.0 112.962 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.1 135.08 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-O 121.685 0.755 . . . . 0.0 110.952 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -130.66 149.19 52.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.76 1.224 . . . . 0.0 109.652 170.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -128.86 141.91 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.98 1.712 . . . . 0.0 108.014 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.41 127.93 32.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.76 0.424 . . . . 0.0 109.994 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -81.92 105.95 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.4 -30.9 57.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.943 -0.473 . . . . 0.0 110.946 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.87 -179.24 35.56 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 113.287 0.075 . . . . 0.0 113.287 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.03 149.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.065 0.546 . . . . 0.0 110.676 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.4 t -132.0 74.76 1.6 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.48 1.112 . . . . 0.0 108.444 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -117.81 4.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -173.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.13 8.9 44.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.909 0.484 . . . . 0.0 110.741 175.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.93 156.7 16.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.149 0.979 . . . . 0.0 110.33 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.01 113.23 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.703 1.201 . . . . 0.0 108.944 -168.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 120.86 29.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.545 1.138 . . . . 0.0 109.649 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.35 131.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.29 1.036 . . . . 0.0 109.967 -169.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.94 138.79 14.23 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.97 132.3 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.912 0.863 . . . . 0.0 109.314 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -131.33 79.68 1.9 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.388 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.13 156.27 72.33 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.744 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -57.84 155.35 33.2 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 121.697 1.598 . . . . 0.0 110.75 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -71.7 -0.69 11.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.971 -0.456 . . . . 0.0 112.057 171.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -25.82 67.31 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.158 1.383 . . . . 0.0 112.128 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.6 144.17 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.98 0.912 . . . . 0.0 110.528 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 142.49 28.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.511 0.672 . . . . 0.0 111.737 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.51 98.2 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.701 -166.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.48 158.33 43.94 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.865 -0.522 . . . . 0.0 111.968 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.3 ptt-85 -63.14 156.51 24.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.855 0.462 . . . . 0.0 111.27 169.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -39.33 73.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -173.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.93 -6.21 26.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.13 -50.93 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.941 0.896 . . . . 0.0 110.027 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -50.74 -36.89 38.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.647 1.179 . . . . 0.0 112.066 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.26 -21.59 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -78.99 -42.12 27.41 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.041 0.837 . . . . 0.0 110.3 169.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' B' ' 52' ' ' GLN . 96.7 mt -63.52 -38.89 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' B' ' 51' ' ' ILE . 27.3 mm-40 -81.49 5.07 18.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.8 -20.02 39.99 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 111.734 169.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 47.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.596 0 C-N-CA 123.467 0.556 . . . . 0.0 114.209 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.01 -176.4 2.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.614 0.707 . . . . 0.0 112.504 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.5 p -128.13 -177.88 4.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.029 1.332 . . . . 0.0 109.397 167.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 125.27 1.73 Allowed Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 124.217 1.007 . . . . 0.0 111.69 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.14 153.6 12.31 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.979 3.119 . . . . 0.0 113.15 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 169.727 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.3 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 105.9 15.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.426 1.09 . . . . 0.0 108.43 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.75 132.75 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.549 0.74 . . . . 0.0 109.22 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.92 134.95 51.4 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.494 0.718 . . . . 0.0 109.329 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -89.91 140.78 29.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.919 0.488 . . . . 0.0 110.025 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -146.11 124.01 12.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.555 -0.26 . . . . 0.0 110.558 -175.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.5 tptm -75.51 152.09 37.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.93 136.67 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 O-C-N 121.813 -0.555 . . . . 0.0 111.991 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.69 -4.26 83.58 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.764 1.173 . . . . 0.0 114.25 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -91.11 171.55 9.18 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.229 1.514 . . . . 0.0 111.975 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -128.91 158.12 39.69 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -167.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -139.8 160.04 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 127.907 2.483 . . . . 0.0 108.569 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.55 149.12 52.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.206 1.002 . . . . 0.0 112.475 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.64 143.43 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.811 1.244 . . . . 0.0 109.034 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 -142.34 42.86 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 123.955 0.788 . . . . 0.0 111.847 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -115.95 7.58 14.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.081 0.952 . . . . 0.0 111.285 169.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -131.76 -11.47 3.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -168.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.28 138.99 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.953 0.797 . . . . 0.0 111.231 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.8 m -124.46 138.06 54.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 109.333 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mm -118.16 137.02 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.566 1.146 . . . . 0.0 108.348 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -132.82 127.95 35.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.11 -0.369 . . . . 0.0 110.307 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -82.31 120.21 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -95.2 -38.89 10.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.11 178.76 44.27 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.272 -0.489 . . . . 0.0 113.972 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -114.6 152.32 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 C-N-CA 123.376 0.67 . . . . 0.0 109.92 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -151.51 101.37 2.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.69 -140.78 26.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.77 2.5 37.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.043 0.537 . . . . 0.0 111.509 168.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.43 146.85 25.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.075 0.95 . . . . 0.0 110.392 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 t -131.25 124.72 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm-85 -88.39 114.26 24.84 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.8 132.62 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.675 1.19 . . . . 0.0 109.326 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.29 134.52 11.89 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.986 0.803 . . . . 0.0 111.539 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.27 117.91 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.981 0.913 . . . . 0.0 108.959 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -119.03 92.77 3.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.998 0.519 . . . . 0.0 110.388 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.74 76.57 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 110.247 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.38 152.03 79.26 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.59 2.193 . . . . 0.0 111.125 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.95 -0.94 2.6 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 112.672 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.89 -22.27 66.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.218 1.007 . . . . 0.0 111.283 169.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.74 146.22 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.25 1.02 . . . . 0.0 110.417 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.93 156.57 23.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.441 0.296 . . . . 0.0 111.073 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.15 132.74 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.958 0.503 . . . . 0.0 109.834 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -154.8 167.56 29.84 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.724 0.81 . . . . 0.0 110.914 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 28.6 ptt-85 -88.66 157.48 18.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 166.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -57.8 -35.82 71.34 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -168.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.82 -19.1 63.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.098 0.959 . . . . 0.0 113.561 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.1 mm -96.12 -36.55 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.71 0.804 . . . . 0.0 110.72 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -52.32 -35.91 51.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.489 1.116 . . . . 0.0 112.707 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.76 -27.71 66.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.65 0.78 . . . . 0.0 112.57 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -68.7 -37.03 79.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 111.805 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.433 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.267 0 O-C-N 122.008 -0.433 . . . . 0.0 109.916 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.599 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.3 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.999 0.428 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.65 108.79 14.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.269 1.828 . . . . 0.0 107.347 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -91.92 138.85 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.414 1.086 . . . . 0.0 109.554 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.94 134.99 22.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.093 1.357 . . . . 0.0 109.249 -167.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 134.55 34.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.174 -0.329 . . . . 0.0 110.973 169.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -136.35 133.66 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.377 0.671 . . . . 0.0 110.378 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -79.98 157.06 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.053 0.541 . . . . 0.0 110.763 171.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -61.18 140.08 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 121.282 0.563 . . . . 0.0 111.811 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.83 -4.32 85.28 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.448 1.023 . . . . 0.0 113.96 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -91.54 174.53 7.32 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.03 1.415 . . . . 0.0 112.201 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -129.69 158.49 39.22 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -168.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 25.9 mt -140.3 159.25 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 127.805 2.442 . . . . 0.0 108.886 -175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -138.51 148.42 44.26 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 112.112 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -134.24 136.36 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.788 1.235 . . . . 0.0 109.07 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -137.17 50.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -124.04 8.35 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.945 0.898 . . . . 0.0 111.744 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -130.1 -11.78 4.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.87 136.23 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.825 0.738 . . . . 0.0 110.656 -172.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -121.38 145.17 48.17 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.269 1.027 . . . . 0.0 109.747 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -125.46 144.52 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.677 1.591 . . . . 0.0 107.779 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -137.71 133.38 34.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.921 -0.487 . . . . 0.0 109.952 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -88.99 93.7 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.6 -28.32 64.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.036 -0.415 . . . . 0.0 110.903 -172.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.2 -176.22 38.61 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.726 -0.273 . . . . 0.0 113.313 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.97 158.31 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.011 0.525 . . . . 0.0 110.839 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.06 77.55 1.53 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.735 0.814 . . . . 0.0 109.449 171.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.44 -115.22 3.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.424 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -96.96 -5.21 38.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.52 0.728 . . . . 0.0 110.44 171.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.24 159.66 29.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.648 0.737 . . . . 0.0 111.874 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.02 124.41 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.161 1.384 . . . . 0.0 108.299 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -82.79 118.79 23.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -120.46 115.18 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.036 0.934 . . . . 0.0 109.178 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.17 141.32 19.85 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.517 1.056 . . . . 0.0 110.603 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.2 mt -134.6 135.24 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.07 89.88 2.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.0 61.81 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.513 1.125 . . . . 0.0 109.455 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.61 149.7 88.68 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.947 1.765 . . . . 0.0 110.486 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -68.51 -1.01 5.73 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.737 -0.602 . . . . 0.0 112.539 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.26 -23.24 66.37 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.895 1.278 . . . . 0.0 111.574 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.37 160.04 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.115 0.966 . . . . 0.0 110.777 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.73 157.1 16.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.271 0.629 . . . . 0.0 112.361 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.78 125.3 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 167.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -147.73 165.19 31.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.343 0.657 . . . . 0.0 111.356 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -63.44 154.52 31.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.341 0.656 . . . . 0.0 109.433 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.98 -36.21 78.85 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 119.025 0.83 . . . . 0.0 111.02 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.9 -25.4 68.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.716 0.806 . . . . 0.0 112.746 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mm -95.5 -39.33 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.555 1.142 . . . . 0.0 111.212 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -46.79 -38.28 9.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.307 1.443 . . . . 0.0 111.728 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.19 -26.12 68.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.732 1.213 . . . . 0.0 113.665 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.26 -47.36 50.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.054 0.843 . . . . 0.0 109.846 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.532 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.1 mp . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 122.705 0.402 . . . . 0.0 110.234 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.287 0.565 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.09 139.66 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.899 1.28 . . . . 0.0 110.158 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 mt -135.13 164.95 26.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.48 107.17 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 166.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 129.81 56.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.899 1.68 . . . . 0.0 110.05 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.24 165.98 12.33 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.855 1.207 . . . . 0.0 112.743 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 m -59.49 137.1 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.646 -169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.45 83.5 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.064 0.84 . . . . 0.0 114.208 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -97.3 172.14 7.98 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.63 1.215 . . . . 0.0 111.376 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -135.55 158.92 43.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -169.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -137.5 156.96 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.989 2.115 . . . . 0.0 107.843 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -132.01 152.98 50.82 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.272 -0.893 . . . . 0.0 113.047 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.18 136.99 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.374 1.469 . . . . 0.0 109.323 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.49 -137.31 50.28 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -119.15 -4.26 10.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.742 0.817 . . . . 0.0 112.101 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -128.83 -3.24 5.24 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.24 131.25 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.878 0.763 . . . . 0.0 110.685 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -123.3 141.88 51.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.205 1.002 . . . . 0.0 109.387 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -118.69 138.63 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.849 1.259 . . . . 0.0 108.213 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -132.57 129.64 39.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.224 0.61 . . . . 0.0 109.898 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -85.13 103.58 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.53 -29.85 61.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.082 -0.387 . . . . 0.0 111.119 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.15 34.81 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 122.967 0.318 . . . . 0.0 113.705 170.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.47 154.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.714 0.806 . . . . 0.0 112.159 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -144.05 89.91 2.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.185 1.394 . . . . 0.0 108.697 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.03 -112.91 5.3 Favored Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.809 -0.557 . . . . 0.0 111.778 -175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -89.24 -22.38 22.76 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.559 0.68 . . . . 0.0 111.624 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.11 142.85 43.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.215 0.606 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.4 116.71 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -85.94 123.92 31.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.45 132.6 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.674 0.79 . . . . 0.0 110.06 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.0 139.12 14.24 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.324 0.964 . . . . 0.0 111.374 172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -128.76 108.89 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.104 1.361 . . . . 0.0 108.285 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -106.6 98.97 8.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.83 58.61 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.972 0.909 . . . . 0.0 109.389 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.68 150.99 58.14 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 121.902 1.735 . . . . 0.0 111.3 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -60.92 -8.06 2.87 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.443 1.097 . . . . 0.0 112.795 172.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.85 -28.03 69.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.73 2.012 . . . . 0.0 111.909 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.73 155.13 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.26 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.5 151.06 22.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 122.183 -0.323 . . . . 0.0 111.848 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.06 128.22 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.143 0.577 . . . . 0.0 110.338 169.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -150.44 172.77 14.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.976 0.91 . . . . 0.0 110.754 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -69.46 161.4 29.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.94 -29.4 70.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 122.164 -0.335 . . . . 0.0 111.64 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.45 -54.58 45.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.812 . . . . 0.0 110.99 170.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 mm -74.06 -34.16 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.451 0.7 . . . . 0.0 110.084 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 124.914 1.286 . . . . 0.0 112.82 178.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.0 145.87 29.52 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.773 0.429 . . . . 0.0 111.062 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.05 135.59 63.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.92 165.0 24.88 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.852 1.261 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 100.66 6.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 168.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.02 130.57 53.2 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.465 1.506 . . . . 0.0 110.384 -174.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.65 165.01 12.73 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.613 1.097 . . . . 0.0 112.8 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -58.81 136.96 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.578 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 -5.74 82.06 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.26 0.933 . . . . 0.0 114.065 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -95.07 169.57 10.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.623 1.212 . . . . 0.0 111.395 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 55.8 m -135.47 159.93 40.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -139.95 158.87 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.849 2.059 . . . . 0.0 107.954 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -136.87 151.37 49.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.469 -0.769 . . . . 0.0 112.596 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.04 140.89 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.725 1.21 . . . . 0.0 109.241 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.11 -133.36 48.94 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.37 10.12 7.32 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.18 0.992 . . . . 0.0 111.837 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.32 -16.29 1.22 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -171.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -104.43 136.5 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.04 0.836 . . . . 0.0 110.553 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -127.6 142.94 51.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.349 1.06 . . . . 0.0 110.31 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.69 140.45 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.492 1.517 . . . . 0.0 108.264 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -134.73 130.11 35.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.986 0.515 . . . . 0.0 109.815 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -82.26 110.25 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.19 -27.71 29.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.26 -175.01 33.35 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.401 0.524 . . . . 0.0 113.4 169.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.04 152.37 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.557 0.743 . . . . 0.0 111.897 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -141.86 89.98 2.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.163 1.385 . . . . 0.0 108.634 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.36 -110.86 3.75 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.06 -22.83 20.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.565 0.682 . . . . 0.0 111.822 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -73.84 141.9 46.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.053 0.541 . . . . 0.0 109.864 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.67 116.51 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -86.02 125.45 33.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.73 138.75 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.025 0.93 . . . . 0.0 109.793 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.38 143.33 16.86 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 mt -130.82 132.83 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.654 1.181 . . . . 0.0 109.438 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -127.62 112.08 14.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.01 0.924 . . . . 0.0 109.048 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.72 157.89 75.27 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.635 0.774 . . . . 0.0 111.325 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.26 160.7 40.99 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.935 2.423 . . . . 0.0 112.171 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -64.4 -12.24 41.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.61 -15.29 61.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.807 1.243 . . . . 0.0 112.473 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.11 163.49 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.839 0.856 . . . . 0.0 111.062 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.02 161.41 14.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.155 0.582 . . . . 0.0 111.409 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.02 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.296 0.638 . . . . 0.0 110.192 170.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -154.99 169.09 24.89 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.922 0.889 . . . . 0.0 110.528 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -75.15 162.46 28.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.948 -0.47 . . . . 0.0 109.775 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -22.69 65.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -172.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.48 -43.14 97.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.82 0.848 . . . . 0.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -86.75 -37.17 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.18 0.592 . . . . 0.0 109.746 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 123.52 0.728 . . . . 0.0 112.609 -178.005 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 112.2 24.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.285 0.948 . . . . 0.0 110.047 -173.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.16 137.46 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.261 1.024 . . . . 0.0 109.104 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -132.83 151.78 51.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.885 0.874 . . . . 0.0 109.682 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -111.84 100.95 9.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.86 140.97 41.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.473 0.709 . . . . 0.0 110.343 -169.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -106.22 155.37 19.54 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -49.62 125.05 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.296 0.638 . . . . 0.0 110.777 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.52 63.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.367 0.984 . . . . 0.0 114.445 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -99.27 168.52 9.97 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.7 1.25 . . . . 0.0 111.651 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -135.22 150.03 50.01 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 9.9 mm -108.41 155.99 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.641 1.576 . . . . 0.0 109.547 168.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -127.38 138.54 53.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.44 1.096 . . . . 0.0 110.202 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -133.76 131.0 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 0.0 109.579 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.92 -126.99 24.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -130.03 2.08 4.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.654 0.782 . . . . 0.0 112.365 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -135.55 -22.65 1.47 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mt -101.12 140.14 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.428 0.691 . . . . 0.0 110.33 -172.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -137.13 145.21 43.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.802 0.841 . . . . 0.0 109.154 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.85 141.65 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.49 1.116 . . . . 0.0 108.193 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -137.82 133.55 34.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.516 0.598 . . . . 0.0 110.178 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.88 101.99 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 169.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.89 -26.71 57.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.901 -0.499 . . . . 0.0 110.387 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.37 39.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 167.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.45 145.55 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.466 1.107 . . . . 0.0 111.257 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -138.29 63.88 1.52 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.948 1.299 . . . . 0.0 110.175 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.21 -122.43 6.5 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -173.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.97 -7.87 59.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.267 0.627 . . . . 0.0 112.37 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -106.63 154.33 21.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.863 0.865 . . . . 0.0 112.482 172.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -136.86 123.44 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.494 1.518 . . . . 0.0 110.168 -168.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -87.41 101.97 14.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.639 1.176 . . . . 0.0 112.108 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.28 134.63 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.275 1.43 . . . . 0.0 109.213 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.01 139.75 15.36 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.079 0.847 . . . . 0.0 111.685 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.0 mt -113.6 134.47 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.287 1.435 . . . . 0.0 108.356 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -124.56 74.99 1.37 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.175 0.99 . . . . 0.0 109.351 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.86 40.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.804 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.3 155.06 56.33 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.447 2.098 . . . . 0.0 110.499 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -68.23 -1.47 6.23 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.16 -30.97 71.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.965 0.906 . . . . 0.0 111.487 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.95 144.05 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 123.743 0.817 . . . . 0.0 111.324 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.76 143.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.928 0.891 . . . . 0.0 110.855 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.69 128.71 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 118.117 0.417 . . . . 0.0 110.648 173.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -153.54 -176.0 5.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.596 1.159 . . . . 0.0 109.933 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 169.7 12.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.41 -39.24 82.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -168.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.08 -7.14 44.44 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.11 -28.74 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.784 1.234 . . . . 0.0 110.701 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 O-C-N 121.342 -0.849 . . . . 0.0 110.646 -172.732 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.09 118.7 35.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.993 1.317 . . . . 0.0 107.68 169.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.6 mt -116.08 137.44 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.938 0.495 . . . . 0.0 112.072 -165.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.99 137.68 41.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.038 1.335 . . . . 0.0 110.694 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -116.35 101.02 8.3 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -128.57 153.41 47.25 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.107 0.963 . . . . 0.0 112.125 -168.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -82.34 155.44 24.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.177 0.991 . . . . 0.0 110.418 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.64 134.7 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 121.058 0.456 . . . . 0.0 110.53 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.72 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.698 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.01 156.65 21.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.094 1.447 . . . . 0.0 112.531 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -121.4 146.58 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.401 1.08 . . . . 0.0 111.497 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.9 mt -136.82 153.41 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.6 1.56 . . . . 0.0 109.106 -169.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.35 143.6 42.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 O-C-N 121.56 -0.713 . . . . 0.0 112.772 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.28 130.67 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.51 1.124 . . . . 0.0 109.834 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -137.78 49.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 -1.13 10.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.635 0.774 . . . . 0.0 112.288 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.59 -20.56 10.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.516 0.726 . . . . 0.0 112.921 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.74 135.02 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -130.8 149.41 52.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 109.807 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -128.98 147.48 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 126.262 1.825 . . . . 0.0 107.903 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -141.69 130.95 23.51 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.001 -0.437 . . . . 0.0 110.231 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.26 104.72 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.56 -29.87 52.38 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.982 -0.449 . . . . 0.0 110.668 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.35 -178.86 35.31 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 122.681 0.181 . . . . 0.0 113.15 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.44 152.62 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.088 0.555 . . . . 0.0 110.808 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -135.32 78.59 1.74 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.745 1.218 . . . . 0.0 108.911 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.48 -117.2 4.46 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.43 7.36 42.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.229 0.612 . . . . 0.0 111.037 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -98.94 154.21 18.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.088 0.955 . . . . 0.0 110.304 170.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -141.32 115.66 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.149 0.58 . . . . 0.0 109.485 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -82.16 117.66 22.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.115 0.966 . . . . 0.0 109.466 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.42 131.59 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 109.956 -172.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.62 143.29 16.43 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 123.439 0.543 . . . . 0.0 112.02 172.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.46 129.78 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.04 0.936 . . . . 0.0 109.269 173.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -132.15 74.99 1.61 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.261 -168.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.53 157.75 45.03 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.344 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -59.68 156.61 36.43 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.697 1.598 . . . . 0.0 110.179 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -0.93 18.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.72 0.771 . . . . 0.0 111.178 176.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.84 -23.1 66.6 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.837 1.655 . . . . 0.0 111.755 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.25 144.12 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.271 1.029 . . . . 0.0 109.985 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.21 142.26 29.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.601 0.715 . . . . 0.0 111.661 170.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 t -142.65 96.14 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.79 -166.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.64 159.15 43.81 Favored 'General case' 0 N--CA 1.457 -0.087 0 O-C-N 121.938 -0.476 . . . . 0.0 111.912 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.0 ptt-85 -67.78 159.94 29.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.98 0.512 . . . . 0.0 111.924 171.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -56.87 -40.28 75.89 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.274 0.63 . . . . 0.0 112.488 -171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.75 -11.88 59.35 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.16 -50.55 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 110.204 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -50.51 -37.05 36.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.794 1.238 . . . . 0.0 111.977 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.11 -21.73 62.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.5 mpt_? -79.0 -41.07 29.87 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.317 0.962 . . . . 0.0 110.091 169.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' B' ' 52' ' ' GLN . 95.9 mt -63.2 -39.73 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' B' ' 51' ' ' ILE . 28.8 mm-40 -81.23 4.9 18.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.37 -19.3 46.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.178 0.591 . . . . 0.0 111.455 168.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.3 48.45 0.09 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 123.558 0.599 . . . . 0.0 113.883 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.0 -176.37 2.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 117.677 0.738 . . . . 0.0 112.55 -168.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -128.67 -178.35 4.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.232 1.413 . . . . 0.0 109.575 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.87 121.16 2.32 Favored Pre-proline 0 N--CA 1.454 -0.255 0 C-N-CA 124.102 0.961 . . . . 0.0 111.325 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -57.03 137.61 82.68 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.041 2.494 . . . . 0.0 113.204 -169.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.455 -0.213 0 C-N-CA 125.231 1.412 . . . . 0.0 113.397 172.74 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 110.57 20.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 165.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.2 134.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.128 0.971 . . . . 0.0 109.795 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.83 134.99 48.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.084 0.953 . . . . 0.0 109.554 169.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 62.9 p -92.98 140.74 29.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.782 0.433 . . . . 0.0 110.917 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -139.25 132.04 29.14 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.662 0.785 . . . . 0.0 110.348 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -75.94 153.55 36.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 168.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.78 135.32 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 121.257 -0.902 . . . . 0.0 111.735 -174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -4.09 81.7 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.714 1.15 . . . . 0.0 114.237 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -85.94 174.37 9.3 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.33 1.565 . . . . 0.0 112.578 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -133.86 157.58 45.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -167.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -141.23 153.38 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 128.046 2.538 . . . . 0.0 108.049 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -131.14 147.67 52.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.29 -0.882 . . . . 0.0 111.975 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -133.9 136.95 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.698 1.199 . . . . 0.0 108.869 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -141.09 42.14 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 123.614 0.626 . . . . 0.0 111.717 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -116.87 7.08 13.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.997 0.919 . . . . 0.0 111.421 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.28 -12.39 5.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.085 0.954 . . . . 0.0 113.306 -169.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.85 138.68 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 118.714 0.688 . . . . 0.0 110.969 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -127.41 138.94 53.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.678 1.191 . . . . 0.0 109.347 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -122.06 142.36 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.693 1.197 . . . . 0.0 108.39 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.08 130.0 28.47 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.852 -0.53 . . . . 0.0 110.787 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.35 117.15 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.0 -37.73 14.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.04 -0.412 . . . . 0.0 109.907 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.67 -177.88 43.54 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.537 -0.363 . . . . 0.0 113.686 169.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.88 154.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.485 0.714 . . . . 0.0 110.357 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.0 p -148.37 100.18 3.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.091 0.956 . . . . 0.0 109.016 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.72 -126.0 20.67 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.31 1.41 54.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.824 0.85 . . . . 0.0 112.036 173.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -87.88 155.51 19.83 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.514 0.726 . . . . 0.0 110.715 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.9 120.01 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.453 1.101 . . . . 0.0 108.546 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -81.24 113.28 19.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -118.19 130.11 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.789 1.236 . . . . 0.0 109.5 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.93 15.32 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.049 0.833 . . . . 0.0 111.915 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.2 mt -127.01 116.75 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 124.907 1.283 . . . . 0.0 108.783 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -116.06 98.06 6.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.504 0.722 . . . . 0.0 109.768 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.61 78.33 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.433 1.093 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -62.04 152.64 74.2 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.489 2.126 . . . . 0.0 111.161 171.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.65 -1.0 2.36 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.495 0.718 . . . . 0.0 112.523 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.78 -22.77 66.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.453 1.101 . . . . 0.0 111.505 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.19 144.65 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.117 0.967 . . . . 0.0 110.535 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.41 154.8 21.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.704 0.402 . . . . 0.0 110.887 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.41 129.81 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 C-N-CA 122.947 0.499 . . . . 0.0 109.829 173.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -156.25 160.22 39.59 Favored 'General case' 0 CA--C 1.524 -0.047 0 C-N-CA 123.237 0.615 . . . . 0.0 111.631 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -74.82 160.47 30.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 166.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.8 -33.23 72.68 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.277 0.631 . . . . 0.0 112.181 -169.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.31 -42.48 77.69 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 111.761 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -93.44 -30.16 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.542 0.737 . . . . 0.0 110.907 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.27 -36.07 40.43 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.732 0.813 . . . . 0.0 112.263 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -59.75 -31.83 70.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.595 0.758 . . . . 0.0 112.316 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -69.05 -37.48 78.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.41 0.684 . . . . 0.0 111.739 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.454 -0.254 0 O-C-N 122.057 -0.402 . . . . 0.0 110.199 178.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.418 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -106.01 118.48 36.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.701 1.2 . . . . 0.0 109.342 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.418 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.4 mp -102.78 135.26 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.789 1.235 . . . . 0.0 108.906 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.6 134.96 27.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.762 1.225 . . . . 0.0 108.415 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 109.94 20.92 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -170.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.85 130.54 56.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.083 -0.386 . . . . 0.0 111.255 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.78 151.94 45.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.126 0.489 . . . . 0.0 110.576 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -57.85 137.07 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.318 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.06 86.88 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.999 -0.889 . . . . 0.0 114.129 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -94.3 171.46 8.81 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.014 1.407 . . . . 0.0 111.859 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 158.41 38.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -168.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mt -139.06 157.96 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 127.143 2.177 . . . . 0.0 108.414 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -131.91 152.76 50.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.004 0.921 . . . . 0.0 111.573 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.73 134.51 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.077 1.351 . . . . 0.0 109.278 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -137.16 50.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -122.56 7.42 9.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.969 0.908 . . . . 0.0 111.861 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -133.14 -13.3 2.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.38 133.75 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 118.832 0.742 . . . . 0.0 110.638 -172.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 14.5 m -116.17 148.63 40.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.086 0.954 . . . . 0.0 109.847 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -129.64 143.51 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 125.858 1.663 . . . . 0.0 107.807 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -139.09 133.04 31.01 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 121.779 -0.576 . . . . 0.0 110.008 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -88.66 94.53 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.42 -30.59 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.862 -0.524 . . . . 0.0 110.963 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.76 -175.17 39.17 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.7 -0.286 . . . . 0.0 113.437 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 m -108.64 157.49 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.486 0.714 . . . . 0.0 111.003 170.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.6 80.16 1.65 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.376 1.07 . . . . 0.0 109.298 170.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.51 -118.06 4.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.91 -7.12 40.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.398 0.679 . . . . 0.0 110.685 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -79.69 156.63 27.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.141 0.576 . . . . 0.0 110.828 173.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -136.37 124.46 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.012 0.925 . . . . 0.0 108.821 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.45 113.05 18.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.54 121.96 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.728 0.811 . . . . 0.0 109.075 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.54 136.68 12.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.64 142.17 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 108.698 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.437 0.695 . . . . 0.0 109.225 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.24 157.85 52.29 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.648 1.179 . . . . 0.0 109.826 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.88 150.21 89.07 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.009 1.806 . . . . 0.0 110.332 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.36 -1.65 6.83 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.95 -23.52 66.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.91 1.284 . . . . 0.0 111.698 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.4 159.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.219 1.008 . . . . 0.0 111.135 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.41 157.05 16.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.616 0.767 . . . . 0.0 112.707 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -152.79 121.67 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 122.865 0.466 . . . . 0.0 110.224 167.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -147.77 172.2 14.48 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.821 0.849 . . . . 0.0 111.54 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -71.71 157.43 37.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.861 0.464 . . . . 0.0 110.203 168.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.89 -35.43 76.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.281 0.632 . . . . 0.0 111.548 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.92 -28.3 68.18 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.407 0.683 . . . . 0.0 112.66 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.43 -37.05 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.698 1.199 . . . . 0.0 110.621 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.51 -41.66 66.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 110.829 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.16 -26.24 68.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -74.62 -38.74 62.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 123.637 0.775 . . . . 0.0 110.974 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.128 0.489 . . . . 0.0 109.773 -177.367 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.23 137.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.969 0.908 . . . . 0.0 109.581 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -138.53 164.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.236 1.414 . . . . 0.0 111.136 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -133.23 107.02 7.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.7 mmp_? -119.07 139.57 51.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.086 1.354 . . . . 0.0 110.507 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -96.98 169.57 9.74 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 m -60.21 138.22 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.48 84.57 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 124.071 0.844 . . . . 0.0 114.335 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -94.75 169.33 10.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.585 1.193 . . . . 0.0 111.461 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -133.14 156.73 46.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -169.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' E' ' 6' ' ' ARG . 46.3 mt -140.38 153.23 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 126.321 1.848 . . . . 0.0 107.905 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.76 150.77 51.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.587 -0.696 . . . . 0.0 112.608 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.72 136.97 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.986 1.315 . . . . 0.0 109.597 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.76 49.31 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -124.36 8.93 8.46 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.802 0.841 . . . . 0.0 111.961 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -136.76 -6.73 1.91 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -170.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.57 132.64 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-N 118.912 0.778 . . . . 0.0 110.639 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.0 m -127.75 142.59 51.27 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 110.157 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -122.07 141.17 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.483 1.513 . . . . 0.0 108.24 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 45.7 m -137.3 128.5 27.86 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.019 0.528 . . . . 0.0 110.023 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.59 109.95 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.9 -31.17 56.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.624 0.37 . . . . 0.0 110.746 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -173.26 34.68 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.24 0.448 . . . . 0.0 113.359 169.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.46 159.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 123.41 0.684 . . . . 0.0 112.413 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.98 91.26 1.76 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.962 1.305 . . . . 0.0 109.066 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.21 -116.45 6.25 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 121.705 -0.622 . . . . 0.0 111.789 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -88.87 -18.97 26.48 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.593 0.697 . . . . 0.0 111.295 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -78.29 146.59 34.72 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.983 0.897 . . . . 0.0 110.73 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -140.99 113.21 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -87.16 123.32 32.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -129.86 134.17 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.43 0.692 . . . . 0.0 110.614 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.58 140.96 15.17 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.275 0.94 . . . . 0.0 111.578 171.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.34 124.31 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.822 1.249 . . . . 0.0 109.033 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -122.98 100.14 6.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.325 0.65 . . . . 0.0 109.654 -172.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.58 71.9 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.206 1.002 . . . . 0.0 110.814 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.65 159.24 41.99 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.161 2.574 . . . . 0.0 112.159 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -72.95 -0.9 14.97 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 171.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.15 -21.85 66.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.307 1.043 . . . . 0.0 111.44 168.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.82 159.42 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.265 1.026 . . . . 0.0 110.69 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.38 157.22 16.0 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.099 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.06 125.91 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.376 0.67 . . . . 0.0 109.702 169.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -147.58 165.99 28.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.872 0.869 . . . . 0.0 110.066 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -66.42 156.68 33.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.25 -19.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.988 -0.445 . . . . 0.0 111.403 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.81 -46.92 88.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.374 1.069 . . . . 0.0 111.477 168.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 mm -83.76 -34.79 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.308 1.043 . . . . 0.0 110.412 -170.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 124.946 1.299 . . . . 0.0 113.098 179.651 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.796 -0.076 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.9 147.21 23.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.113 -0.367 . . . . 0.0 111.521 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 135.4 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 124.049 0.94 . . . . 0.0 108.495 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -134.62 163.36 29.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.167 0.987 . . . . 0.0 109.259 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -131.59 96.94 4.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 109.453 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' F' ' 12' ' ' ILE . 9.1 ttp180 -104.99 162.13 13.62 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.995 1.318 . . . . 0.0 110.603 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -119.46 168.43 10.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 m -54.98 134.91 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.568 -170.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 -9.35 72.21 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.292 0.949 . . . . 0.0 114.643 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.17 175.63 6.87 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.25 1.525 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -141.07 163.98 31.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HD3' ' F' ' 6' ' ' ARG . 20.5 mt -149.88 153.72 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.82 2.448 . . . . 0.0 107.748 -171.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -127.61 152.43 47.66 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.901 0.88 . . . . 0.0 112.462 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.04 141.79 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.512 1.125 . . . . 0.0 109.083 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.44 49.47 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -122.27 9.96 9.87 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 112.017 172.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.74 -14.38 1.23 Allowed 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.95 139.95 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 119.152 0.887 . . . . 0.0 110.827 -172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.4 143.78 51.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.349 1.06 . . . . 0.0 110.229 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -126.64 137.0 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.585 1.554 . . . . 0.0 108.658 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -136.62 129.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.624 0.77 . . . . 0.0 110.411 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.03 109.71 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 173.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' F' ' 31' ' ' ARG . 28.7 mt -82.53 -31.97 28.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.021 0.529 . . . . 0.0 110.881 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -174.95 35.88 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.617 0.627 . . . . 0.0 113.083 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.89 153.3 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.426 0.69 . . . . 0.0 112.077 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.11 89.92 2.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.273 1.429 . . . . 0.0 109.031 169.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.42 -106.05 1.69 Allowed Glycine 0 CA--C 1.525 0.697 0 O-C-N 121.814 -0.554 . . . . 0.0 111.962 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.99 -21.94 17.7 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.547 0.673 . . . . 0.0 111.93 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.61 143.22 48.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.22 0.533 . . . . 0.0 110.001 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.53 116.46 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' F' ' 23' ' ' LEU . 22.3 ttm180 -87.02 127.73 35.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.2 141.17 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.492 -168.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.01 139.94 15.12 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 124.088 0.851 . . . . 0.0 111.148 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.11 143.13 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.756 1.223 . . . . 0.0 109.202 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -131.41 109.76 10.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.156 0.982 . . . . 0.0 108.978 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.07 157.13 78.37 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.829 0.852 . . . . 0.0 111.484 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.99 162.35 32.92 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.053 2.502 . . . . 0.0 112.192 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.78 -4.86 30.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.453 0.701 . . . . 0.0 112.674 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.79 -20.21 64.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.572 1.149 . . . . 0.0 112.432 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -128.39 164.64 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.896 0.879 . . . . 0.0 110.949 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.24 161.68 13.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.44 0.696 . . . . 0.0 111.209 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.79 124.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.384 0.673 . . . . 0.0 110.411 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -152.65 174.86 13.45 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 110.596 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -72.02 161.88 30.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.01 -28.45 69.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.005 -0.435 . . . . 0.0 112.094 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -42.66 81.27 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.461 1.104 . . . . 0.0 111.944 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.95 -31.54 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 110.639 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 112.855 177.676 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.8 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 105.77 17.97 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.505 0.722 . . . . 0.0 109.079 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.29 135.52 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.655 0.782 . . . . 0.0 109.041 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.8 mt -128.88 162.02 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.191 0.996 . . . . 0.0 109.611 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.7 m -124.28 105.76 9.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -95.83 165.91 12.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.385 1.074 . . . . 0.0 108.801 -169.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.28 151.2 51.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.2 t -48.31 121.35 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.94 -175.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.88 -7.65 55.37 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.234 1.397 . . . . 0.0 114.663 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -80.22 149.83 30.3 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.932 1.366 . . . . 0.0 112.282 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 m -124.97 142.7 51.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.574 0.75 . . . . 0.0 112.588 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 44' ' ' ARG . 36.3 mm -122.74 155.47 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.496 1.919 . . . . 0.0 108.514 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -130.16 135.23 47.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.602 1.161 . . . . 0.0 109.422 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.21 133.86 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.778 0.831 . . . . 0.0 109.325 -173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -127.57 33.09 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.01 0.09 5.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.746 0.819 . . . . 0.0 112.53 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -134.18 -14.13 2.35 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.6 mt -108.38 138.9 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.589 0.755 . . . . 0.0 110.463 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -135.56 143.62 45.77 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.164 0.986 . . . . 0.0 109.601 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -127.48 138.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.544 1.138 . . . . 0.0 108.797 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -133.62 137.22 45.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.643 0.777 . . . . 0.0 110.374 -176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -91.11 103.47 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.76 -27.23 50.28 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.876 -0.515 . . . . 0.0 110.495 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.86 -168.61 40.82 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 117.667 0.212 . . . . 0.0 113.61 169.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.83 145.18 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.955 0.902 . . . . 0.0 110.58 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -136.98 65.93 1.49 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.1 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -117.95 6.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -86.95 -5.05 59.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 112.546 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -108.22 153.52 23.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.666 0.746 . . . . 0.0 112.732 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -125.47 131.87 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 126.247 1.819 . . . . 0.0 108.473 -172.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -104.64 102.03 11.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.451 0.7 . . . . 0.0 110.274 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -109.3 137.63 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 109.891 -174.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 140.3 16.02 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.253 0.93 . . . . 0.0 111.702 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.46 138.77 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.321 1.448 . . . . 0.0 108.269 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -126.95 75.53 1.58 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.618 1.167 . . . . 0.0 109.3 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.38 154.1 46.47 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.238 1.415 . . . . 0.0 110.691 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.03 154.08 57.69 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.48 2.12 . . . . 0.0 110.606 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.25 -6.38 18.07 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.75 -25.68 65.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.037 0.935 . . . . 0.0 112.255 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.73 144.0 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.873 0.844 . . . . 0.0 112.033 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.1 36.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.793 1.237 . . . . 0.0 111.567 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -130.21 120.36 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.421 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -148.94 158.79 44.44 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.015 0.526 . . . . 0.0 111.932 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.15 166.11 23.99 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.296 0.638 . . . . 0.0 110.612 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -62.09 -41.27 98.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.566 -0.709 . . . . 0.0 112.472 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -76.95 2.89 13.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.08 -11.18 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.481 1.112 . . . . 0.0 111.184 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.45 -0.457 0 O-C-N 120.303 -1.498 . . . . 0.0 110.53 169.639 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.5 120.86 41.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.377 1.471 . . . . 0.0 107.314 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.6 mt -119.06 137.31 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -164.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -142.26 150.4 40.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.529 1.132 . . . . 0.0 111.436 -169.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -101.81 134.17 45.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.0 123.83 35.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.498 1.119 . . . . 0.0 109.919 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -73.72 155.99 38.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.129 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -59.6 126.83 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -6.75 61.72 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 118.894 -0.948 . . . . 0.0 115.023 -173.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -88.94 169.65 11.36 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.311 1.556 . . . . 0.0 111.913 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -140.99 158.78 43.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -168.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mm -133.82 154.26 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.344 2.258 . . . . 0.0 108.691 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -133.22 139.5 47.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.555 1.142 . . . . 0.0 110.426 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -131.27 134.39 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.974 0.91 . . . . 0.0 109.879 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -135.58 50.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -122.14 4.93 9.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.815 0.846 . . . . 0.0 112.049 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -125.82 -17.45 5.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.1 138.15 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 118.84 0.745 . . . . 0.0 110.827 -169.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -136.46 149.76 48.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.808 1.243 . . . . 0.0 109.94 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -130.94 143.73 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.877 1.671 . . . . 0.0 108.456 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -141.07 126.1 18.3 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.172 0.589 . . . . 0.0 110.708 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -77.92 117.93 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.76 -32.16 21.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.166 -0.334 . . . . 0.0 110.967 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.43 173.34 31.0 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 122.518 0.104 . . . . 0.0 113.124 171.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.2 153.66 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.129 0.49 . . . . 0.0 110.903 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -137.4 76.17 1.57 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.768 1.227 . . . . 0.0 109.123 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.74 -116.97 4.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.06 9.05 40.64 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.226 0.611 . . . . 0.0 111.401 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.89 152.18 20.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.597 1.159 . . . . 0.0 109.914 169.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.71 111.94 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.434 0.694 . . . . 0.0 110.108 -168.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.0 119.67 27.45 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.508 1.123 . . . . 0.0 110.245 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.42 136.47 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 124.015 0.926 . . . . 0.0 110.619 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.15 142.78 16.19 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 123.325 0.488 . . . . 0.0 112.303 169.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.79 134.0 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.835 0.854 . . . . 0.0 109.56 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -133.08 74.92 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.53 -168.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.59 156.73 51.09 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.085 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.77 152.45 42.2 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.648 1.566 . . . . 0.0 110.319 169.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -65.67 -0.71 2.24 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.437 0.695 . . . . 0.0 111.998 171.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.94 -30.96 71.62 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 112.022 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -104.96 144.13 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.499 1.12 . . . . 0.0 110.616 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.48 141.76 30.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.469 0.652 . . . . 0.0 111.863 169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.9 97.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.825 -166.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.5 158.74 44.12 Favored 'General case' 0 C--N 1.337 0.032 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -63.08 155.81 26.73 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.156 0.983 . . . . 0.0 111.903 169.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.04 -43.77 63.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.824 0.85 . . . . 0.0 112.091 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.97 -12.08 52.4 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -98.51 -49.59 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.147 0.979 . . . . 0.0 110.292 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.36 -37.02 34.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.213 1.405 . . . . 0.0 112.181 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -69.81 -23.6 63.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.6 mpt_? -79.03 -38.48 36.46 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.981 0.81 . . . . 0.0 110.551 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.49 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -65.02 -41.06 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.49 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.9 mm-40 -79.55 5.13 13.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.39 -17.92 47.32 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.025 0.53 . . . . 0.0 111.863 169.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.361 -0.688 . . . . 0.0 114.58 169.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.0 -175.8 2.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.986 0.893 . . . . 0.0 112.865 -168.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.2 p -125.98 176.78 6.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.408 1.483 . . . . 0.0 109.174 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -37.94 119.1 0.96 Allowed Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.647 1.179 . . . . 0.0 112.008 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 46.0 Cg_exo -67.53 175.94 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.228 1.952 . . . . 0.0 113.308 -171.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.453 -0.289 0 C-N-CA 123.93 0.892 . . . . 0.0 112.419 173.14 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.87 107.14 16.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 166.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.64 134.35 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 123.861 0.864 . . . . 0.0 109.523 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.08 135.26 47.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.475 1.11 . . . . 0.0 109.668 169.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 34.0 p -94.17 147.14 23.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.21 0.529 . . . . 0.0 110.863 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -137.37 145.08 42.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.537 0.735 . . . . 0.0 110.027 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 4.4 tptm -83.32 155.41 23.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 168.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.85 130.82 22.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 118.996 0.816 . . . . 0.0 111.519 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 -4.93 79.26 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.608 1.099 . . . . 0.0 114.095 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.65 170.58 11.69 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.127 1.464 . . . . 0.0 111.895 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -132.96 158.23 43.18 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -167.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.78 159.03 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 127.209 2.204 . . . . 0.0 108.102 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -126.32 143.46 51.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.71 0.804 . . . . 0.0 111.235 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.03 151.49 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' C' ' 17' ' ' ASP . . . 8.23 121.8 0.0 OUTLIER Glycine 0 C--N 1.34 0.805 0 C-N-CA 128.212 2.815 . . . . 0.0 110.438 -174.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -53.62 9.99 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 -155.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' C' ' 15' ' ' GLY . 36.9 m-20 -94.69 -16.04 23.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.795 1.638 . . . . 0.0 111.588 162.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.35 141.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 121.083 1.765 . . . . 0.0 112.795 -171.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -124.88 146.34 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.753 1.221 . . . . 0.0 109.594 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -127.43 145.97 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.333 1.453 . . . . 0.0 108.474 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.97 139.86 38.05 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.966 0.506 . . . . 0.0 110.143 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.452 HD13 ' N ' ' C' ' 23' ' ' LEU . 0.0 OUTLIER -97.18 117.67 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 168.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.452 ' N ' HD13 ' C' ' 22' ' ' ILE . 8.9 mt -87.37 -47.2 8.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.81 -0.556 . . . . 0.0 109.967 -170.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.76 175.5 46.56 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.392 168.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.0 149.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.309 0.644 . . . . 0.0 110.642 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -142.56 97.7 3.16 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.391 1.076 . . . . 0.0 108.444 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.43 -128.49 15.75 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -169.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -93.46 1.55 56.79 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.871 0.868 . . . . 0.0 112.116 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.71 153.05 22.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.648 0.779 . . . . 0.0 110.729 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.77 127.15 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.081 0.952 . . . . 0.0 109.249 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -85.58 117.91 24.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.14 129.87 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.817 1.247 . . . . 0.0 109.259 -172.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.79 140.17 14.92 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.103 1.335 . . . . 0.0 111.848 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.4 mt -133.65 132.82 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -138.05 90.01 2.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.972 0.415 . . . . 0.0 110.498 -172.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.07 156.42 79.21 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.537 1.135 . . . . 0.0 110.26 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.32 151.67 83.73 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.567 2.178 . . . . 0.0 110.946 170.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.02 -0.94 2.65 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.381 0.672 . . . . 0.0 112.671 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.92 -22.0 66.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.404 1.082 . . . . 0.0 111.319 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.14 148.71 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 124.29 1.036 . . . . 0.0 110.643 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.78 157.01 21.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.794 0.438 . . . . 0.0 111.464 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.66 132.56 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 169.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -154.51 165.24 37.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.841 0.856 . . . . 0.0 111.029 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' D' ' 6' ' ' ARG . 0.7 OUTLIER -80.14 159.11 26.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 166.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.03 -27.08 68.87 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.488 0.586 . . . . 0.0 111.745 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.29 -27.94 66.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.319 0.647 . . . . 0.0 112.713 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.7 -37.06 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.629 0.772 . . . . 0.0 110.489 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -52.2 -36.42 52.0 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.25 1.02 . . . . 0.0 112.53 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.62 -28.71 67.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 112.274 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.34 -38.54 71.64 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.628 0.771 . . . . 0.0 111.983 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 110.128 -179.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.9 mmm . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.2 111.08 10.58 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.791 2.036 . . . . 0.0 106.738 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -103.65 139.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.144 0.977 . . . . 0.0 109.839 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -127.6 166.37 18.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.777 1.231 . . . . 0.0 111.709 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.59 110.01 12.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.305 1.442 . . . . 0.0 108.169 168.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' C' ' 44' ' ' ARG . 1.7 mmp_? -122.98 143.64 49.78 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.772 0.429 . . . . 0.0 110.154 172.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -77.4 160.47 28.73 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.261 0.553 . . . . 0.0 110.044 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -55.41 138.14 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.486 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.67 -2.36 86.01 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.987 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.12 165.61 12.33 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.853 1.327 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -123.48 161.28 25.17 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -168.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -150.29 160.8 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 127.19 2.196 . . . . 0.0 108.951 -167.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -142.65 152.98 43.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.72 142.27 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.045 1.338 . . . . 0.0 109.167 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -139.31 48.66 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 123.553 0.597 . . . . 0.0 111.721 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -120.54 8.71 10.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.914 0.886 . . . . 0.0 111.903 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.02 -10.84 2.27 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.09 137.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.774 0.715 . . . . 0.0 110.482 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -121.68 145.94 47.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.443 1.097 . . . . 0.0 109.6 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.91 143.23 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.305 1.442 . . . . 0.0 107.849 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -139.59 135.19 33.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.655 -0.653 . . . . 0.0 110.026 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -89.65 105.84 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 mt -79.4 -30.42 42.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.062 0.545 . . . . 0.0 110.831 -171.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.02 -172.68 40.75 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 117.431 0.105 . . . . 0.0 113.035 170.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.72 160.74 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.401 0.68 . . . . 0.0 110.54 169.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.57 76.07 1.46 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.779 0.832 . . . . 0.0 109.283 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -115.5 4.03 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.47 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 7.3 mp0 -94.83 -5.97 43.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.294 0.638 . . . . 0.0 110.378 172.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.45 152.87 37.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.574 0.702 . . . . 0.0 110.718 168.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -132.36 123.83 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.433 1.493 . . . . 0.0 107.329 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -95.04 111.59 23.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.409 1.084 . . . . 0.0 108.466 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -119.53 129.32 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.49 0.716 . . . . 0.0 109.989 -169.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.09 135.54 12.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.53 138.6 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.121 0.969 . . . . 0.0 108.825 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.14 90.02 2.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.267 0.627 . . . . 0.0 109.842 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.16 155.55 58.15 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.371 1.068 . . . . 0.0 110.02 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.35 151.17 81.19 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.393 2.062 . . . . 0.0 110.665 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.46 -1.01 5.65 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.95 -21.69 66.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.254 1.021 . . . . 0.0 111.309 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.7 160.01 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.375 1.07 . . . . 0.0 110.753 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.65 157.09 16.93 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.477 0.711 . . . . 0.0 112.182 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.28 128.91 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 O-C-N 121.554 -0.716 . . . . 0.0 110.211 168.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -150.07 164.6 35.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.718 0.807 . . . . 0.0 111.616 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.92 156.66 30.35 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.74 -37.08 77.98 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.892 -0.505 . . . . 0.0 111.663 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -65.81 -26.14 67.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.888 0.875 . . . . 0.0 112.932 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -88.09 -45.04 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.917 0.887 . . . . 0.0 110.202 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -48.68 -34.71 12.42 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.25 1.82 . . . . 0.0 112.906 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.69 -24.62 67.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.418 1.087 . . . . 0.0 113.315 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -48.01 19.5 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 119.173 0.897 . . . . 0.0 109.728 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.676 ' H ' HD12 ' D' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 127.092 2.157 . . . . 0.0 110.697 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -105.97 139.99 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.966 0.906 . . . . 0.0 109.363 173.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.26 165.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.402 1.481 . . . . 0.0 111.298 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 105.16 5.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 166.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -122.39 137.65 54.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.288 -173.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -95.71 168.96 10.35 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -57.93 137.79 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.117 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -5.59 84.52 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.173 -0.793 . . . . 0.0 114.353 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -88.27 169.54 11.77 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.879 1.34 . . . . 0.0 111.739 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -134.92 155.97 49.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.486 0.66 . . . . 0.0 112.485 -170.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -140.8 157.46 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.949 1.7 . . . . 0.0 108.263 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -138.25 148.3 44.58 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mt -136.82 139.54 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.778 1.231 . . . . 0.0 109.095 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.62 50.18 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.2 10.05 7.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.065 0.946 . . . . 0.0 112.434 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -132.33 -9.69 3.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.05 135.95 52.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 119.354 0.979 . . . . 0.0 111.157 -170.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -128.25 145.79 50.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.512 1.125 . . . . 0.0 110.217 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -124.86 141.52 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.623 1.569 . . . . 0.0 108.038 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -137.43 126.6 24.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.947 0.499 . . . . 0.0 110.166 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.99 112.92 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 170.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.46 -32.16 42.58 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.976 0.51 . . . . 0.0 110.698 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -174.19 34.69 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.265 0.46 . . . . 0.0 113.419 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.45 157.87 26.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 117.511 0.655 . . . . 0.0 112.571 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -150.06 101.9 3.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.925 1.29 . . . . 0.0 109.101 168.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -116.3 5.56 Favored Glycine 0 CA--C 1.525 0.691 0 O-C-N 121.805 -0.559 . . . . 0.0 112.083 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -90.83 -16.38 28.39 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.604 0.702 . . . . 0.0 111.157 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.7 150.52 29.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.437 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.29 110.03 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 126.419 1.888 . . . . 0.0 106.212 -168.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -89.12 124.59 34.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.09 131.85 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.165 0.586 . . . . 0.0 110.971 -168.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 142.49 16.03 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.391 0.996 . . . . 0.0 111.843 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.23 128.96 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.026 1.331 . . . . 0.0 108.977 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.11 99.5 5.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.983 0.513 . . . . 0.0 109.718 -170.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 155.67 71.14 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.46 1.104 . . . . 0.0 110.434 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.95 159.12 35.17 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.769 2.313 . . . . 0.0 111.888 170.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -69.91 -0.89 8.13 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.273 0.629 . . . . 0.0 112.645 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.96 -22.75 67.05 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.653 1.181 . . . . 0.0 111.482 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.02 157.65 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.329 1.051 . . . . 0.0 110.94 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.66 156.49 16.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.88 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.06 126.99 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.209 0.604 . . . . 0.0 110.223 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -152.97 167.73 28.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.409 0.684 . . . . 0.0 111.891 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -69.11 159.39 33.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -19.8 65.87 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -60.2 -55.49 33.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.422 0.689 . . . . 0.0 110.054 169.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -71.41 -36.01 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.272 0.629 . . . . 0.0 109.966 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 124.315 1.046 . . . . 0.0 112.748 -179.31 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -95.99 148.32 22.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.75 0.42 . . . . 0.0 111.429 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.97 127.96 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.92 149.59 39.9 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.058 1.343 . . . . 0.0 108.989 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.82 96.86 5.12 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 122.003 0.906 . . . . 0.0 108.649 168.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -109.75 162.24 14.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.825 1.65 . . . . 0.0 109.118 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -114.79 177.05 4.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.74 134.79 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.098 0.475 . . . . 0.0 111.98 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.0 75.65 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 118.815 -0.992 . . . . 0.0 115.42 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 169.21 18.43 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.732 1.766 . . . . 0.0 112.64 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -136.84 143.1 42.92 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.758 1.223 . . . . 0.0 111.979 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.7 156.54 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 126.672 1.989 . . . . 0.0 108.227 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -129.21 147.24 51.04 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.645 0.778 . . . . 0.0 111.86 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.1 143.59 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.511 1.125 . . . . 0.0 109.062 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.18 -135.06 51.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -125.05 10.08 8.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.04 0.936 . . . . 0.0 112.729 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -139.09 -15.98 1.1 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.18 138.51 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.63 1.104 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 50.9 m -132.14 141.26 49.07 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.355 1.062 . . . . 0.0 110.699 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -126.76 124.43 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.874 1.27 . . . . 0.0 109.572 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -119.35 136.43 54.27 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.355 1.062 . . . . 0.0 110.066 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.55 116.83 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.36 -30.69 21.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.975 0.51 . . . . 0.0 111.048 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.08 -175.07 36.07 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 123.185 0.422 . . . . 0.0 113.582 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -118.88 159.49 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 C-N-CA 123.701 0.801 . . . . 0.0 112.046 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.57 89.93 1.67 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.665 1.186 . . . . 0.0 109.174 169.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.6 -102.92 1.26 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -100.24 -19.97 16.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.514 0.657 . . . . 0.0 112.084 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -72.62 143.45 48.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.232 0.539 . . . . 0.0 110.211 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.37 113.79 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -86.81 127.94 35.02 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.55 0.74 . . . . 0.0 109.365 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.7 147.05 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.052 0.941 . . . . 0.0 110.239 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.27 141.61 15.91 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.237 0.922 . . . . 0.0 111.25 170.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -130.82 130.82 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.264 1.026 . . . . 0.0 109.825 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -125.04 106.31 9.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.302 1.041 . . . . 0.0 109.133 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.65 157.91 76.86 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.074 0.949 . . . . 0.0 111.222 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -66.2 160.62 44.07 Favored 'Trans proline' 0 N--CA 1.449 -1.097 0 C-N-CA 122.888 2.392 . . . . 0.0 112.127 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -6.26 12.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 171.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.43 -14.87 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.818 1.247 . . . . 0.0 112.388 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.73 165.12 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.4 162.7 12.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.386 0.674 . . . . 0.0 111.462 171.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.95 127.53 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.576 0.75 . . . . 0.0 110.105 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.18 176.2 12.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.147 0.979 . . . . 0.0 110.091 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.99 163.92 23.87 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.817 -0.552 . . . . 0.0 109.878 168.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.22 -30.23 69.26 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.837 0.455 . . . . 0.0 112.105 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.48 -44.36 80.53 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.04 0.936 . . . . 0.0 111.735 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.96 -29.61 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.689 0.796 . . . . 0.0 110.456 -170.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.331 1.052 . . . . 0.0 112.563 173.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 109.43 21.34 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.584 0.753 . . . . 0.0 109.326 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.67 137.14 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.022 0.929 . . . . 0.0 109.114 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -132.44 156.19 47.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.192 0.997 . . . . 0.0 109.693 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -115.96 100.96 8.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.65 130.09 56.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.603 0.761 . . . . 0.0 110.326 -169.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -94.09 154.45 17.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 HG13 ' A' ' 25' ' ' VAL . 31.6 m -63.58 134.76 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 119.594 -0.843 . . . . 0.0 112.049 -169.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 -2.71 68.32 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.705 1.145 . . . . 0.0 114.198 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -100.21 171.01 8.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.84 1.32 . . . . 0.0 111.664 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -136.15 151.34 49.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.8 mm -112.9 158.5 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 125.908 1.683 . . . . 0.0 109.781 169.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.4 140.27 52.29 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.966 1.306 . . . . 0.0 110.027 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mt -134.58 130.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.035 0.934 . . . . 0.0 109.643 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.66 -127.63 28.73 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.05 2.0 5.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.87 0.868 . . . . 0.0 112.101 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -147.55 -7.87 0.44 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -105.6 136.64 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.417 1.008 . . . . 0.0 110.431 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -129.34 143.66 50.93 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.841 0.856 . . . . 0.0 109.249 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -122.78 141.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.645 1.178 . . . . 0.0 108.235 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -135.56 127.74 29.98 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.269 0.486 . . . . 0.0 110.142 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -79.37 106.45 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.25 -35.42 63.81 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.67 -168.0 33.21 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 166.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HG11 ' A' ' 8' ' ' VAL . 14.4 m -88.23 163.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.813 0.845 . . . . 0.0 112.422 -169.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 m -148.47 61.02 1.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.082 1.353 . . . . 0.0 109.546 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.84 -121.87 9.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -171.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.13 -0.36 44.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.61 0.764 . . . . 0.0 111.839 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.02 163.08 12.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.88 0.848 . . . . 0.0 111.559 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.6 t -140.91 128.82 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.739 1.616 . . . . 0.0 108.139 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -107.0 101.94 11.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.77 0.828 . . . . 0.0 110.373 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -108.79 132.06 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.413 1.485 . . . . 0.0 109.542 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.98 141.71 15.35 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.044 0.831 . . . . 0.0 111.876 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.9 mt -115.57 129.95 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.332 1.453 . . . . 0.0 108.183 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -119.69 74.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.232 1.015 . . . . 0.0 109.379 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.08 153.1 41.18 Favored Pre-proline 0 N--CA 1.454 -0.264 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.612 171.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.1 156.31 47.14 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.604 2.203 . . . . 0.0 110.467 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -69.46 -2.65 11.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.86 -24.74 63.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.915 0.886 . . . . 0.0 111.884 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -117.55 144.08 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.901 0.858 . . . . 0.0 111.74 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.09 143.0 30.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 110.85 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.64 130.33 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 122.678 0.391 . . . . 0.0 110.336 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -151.54 -175.89 5.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.283 1.033 . . . . 0.0 110.064 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.96 163.18 25.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 170.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -63.14 -26.45 68.82 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.31 -23.68 65.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 112.627 172.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -120.19 -26.52 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.885 1.274 . . . . 0.0 111.127 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.1 t80 . . . . . 0 N--CA 1.452 -0.372 0 O-C-N 121.335 -0.853 . . . . 0.0 110.498 -172.709 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -114.44 121.92 45.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 55.6 mt -118.01 141.41 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -165.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.39 139.17 46.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.864 1.265 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -116.23 107.75 15.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -131.16 159.31 38.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.754 0.822 . . . . 0.0 110.868 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -87.51 164.85 15.91 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.064 0.459 . . . . 0.0 112.183 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.84 134.72 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.078 0.466 . . . . 0.0 110.584 172.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.67 -3.06 67.77 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.637 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.6 162.21 18.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.087 1.444 . . . . 0.0 112.632 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -127.22 143.58 51.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.268 1.027 . . . . 0.0 111.651 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 8.4 mt -136.07 154.33 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.348 1.459 . . . . 0.0 109.298 -170.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -138.0 144.84 41.28 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -169.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.85 127.99 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.455 1.102 . . . . 0.0 109.83 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -135.59 51.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.7 4.77 6.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.756 0.822 . . . . 0.0 112.788 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -110.81 -21.76 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.72 136.01 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-N 119.023 0.829 . . . . 0.0 111.644 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -133.02 150.91 52.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.04 1.336 . . . . 0.0 109.761 170.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -130.17 146.72 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.125 1.77 . . . . 0.0 108.058 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -140.49 130.28 24.44 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.006 -0.434 . . . . 0.0 110.042 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.02 108.58 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.03 -29.92 43.87 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.09 -0.381 . . . . 0.0 110.884 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.49 -179.67 32.16 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 122.791 0.234 . . . . 0.0 112.688 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.62 153.84 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 121.237 0.542 . . . . 0.0 111.082 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -136.79 72.92 1.43 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.76 1.224 . . . . 0.0 108.718 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.3 -112.87 3.66 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.49 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -110.86 16.49 21.26 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.401 0.62 . . . . 0.0 111.712 169.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -99.0 157.24 16.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.374 1.07 . . . . 0.0 108.952 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -137.22 122.29 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.337 0.255 . . . . 0.0 110.328 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -88.24 119.96 29.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.087 0.955 . . . . 0.0 109.762 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.27 132.51 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.294 1.038 . . . . 0.0 109.88 -169.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.54 140.01 14.81 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -121.57 132.34 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.778 0.799 . . . . 0.0 109.514 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.41 75.01 1.61 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.208 -168.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.5 156.5 49.18 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.113 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -56.96 153.12 39.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.619 1.546 . . . . 0.0 110.731 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -68.18 -0.83 5.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.162 0.585 . . . . 0.0 112.051 172.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.93 -28.62 69.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.92 1.688 . . . . 0.0 112.584 171.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -106.72 144.1 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.237 1.015 . . . . 0.0 110.769 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.17 141.59 31.82 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.592 0.711 . . . . 0.0 112.304 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.54 98.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.904 -167.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.73 162.04 40.56 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.814 -0.554 . . . . 0.0 111.507 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.21 159.33 29.28 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -56.13 -33.07 64.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.651 0.781 . . . . 0.0 112.471 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.35 -55.09 31.96 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.403 1.001 . . . . 0.0 110.235 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.91 -45.52 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 110.045 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -51.03 -40.09 57.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.058 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.39 -25.47 65.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -78.8 -41.42 30.42 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.977 0.808 . . . . 0.0 110.241 172.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.525 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.9 mt -63.23 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.525 ' NE2' HG22 ' B' ' 51' ' ' ILE . 25.9 mm-40 -80.26 4.72 16.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.98 -17.0 51.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.122 0.569 . . . . 0.0 111.861 169.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.62 47.64 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.836 169.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.91 -176.42 2.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.656 0.728 . . . . 0.0 112.501 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -128.64 179.54 5.63 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.094 1.358 . . . . 0.0 109.474 167.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.11 121.76 1.6 Allowed Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 124.445 1.098 . . . . 0.0 111.744 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.71 153.3 30.71 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.656 2.904 . . . . 0.0 113.907 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.677 1.191 . . . . 0.0 112.288 169.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 109.7 16.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.062 1.745 . . . . 0.0 106.292 164.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.49 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.739 0.816 . . . . 0.0 109.757 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.7 134.91 50.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.53 0.732 . . . . 0.0 109.473 167.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -89.51 139.13 30.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.774 0.829 . . . . 0.0 109.253 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 134.48 21.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.175 -0.328 . . . . 0.0 111.847 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.8 tptm -76.83 152.9 35.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.634 0.773 . . . . 0.0 110.193 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -58.35 138.68 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 121.768 -0.583 . . . . 0.0 111.952 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.88 82.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.59 1.09 . . . . 0.0 114.193 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.31 169.4 12.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.856 1.328 . . . . 0.0 112.983 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -125.79 155.29 41.3 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.33 1.052 . . . . 0.0 112.779 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mt -143.71 153.59 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.642 1.977 . . . . 0.0 108.81 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -124.66 148.79 47.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.104 0.962 . . . . 0.0 111.767 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -135.41 130.85 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.703 1.201 . . . . 0.0 108.969 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.53 -137.74 45.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -123.95 10.02 8.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.099 0.96 . . . . 0.0 111.864 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -119.07 -17.47 8.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.435 1.094 . . . . 0.0 113.097 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.19 139.79 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 118.784 0.72 . . . . 0.0 111.138 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -129.2 141.15 51.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.674 1.19 . . . . 0.0 109.228 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -122.05 141.58 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.798 1.239 . . . . 0.0 108.491 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.16 132.16 35.62 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.588 0.355 . . . . 0.0 110.104 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -87.01 117.57 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -94.56 -35.12 12.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.017 -0.427 . . . . 0.0 110.168 -172.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.07 38.76 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 169.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -110.99 154.19 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 123.616 0.766 . . . . 0.0 110.322 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -151.62 107.95 3.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.308 1.043 . . . . 0.0 108.796 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.04 -130.82 30.35 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -169.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -92.6 1.29 57.34 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.898 0.879 . . . . 0.0 112.17 172.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.99 153.11 21.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.069 0.948 . . . . 0.0 110.752 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 36.5 t -134.5 124.19 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.047 0.939 . . . . 0.0 108.838 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.6 ttm180 -80.69 115.23 20.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -122.12 130.19 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.694 1.197 . . . . 0.0 109.259 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.23 136.93 12.96 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 124.003 0.811 . . . . 0.0 111.72 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -122.33 121.07 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.198 0.999 . . . . 0.0 108.901 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -120.27 95.52 4.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.977 0.511 . . . . 0.0 110.168 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.13 157.25 78.76 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 124.303 1.041 . . . . 0.0 110.115 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.59 154.32 65.78 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.698 2.265 . . . . 0.0 111.411 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.6 -1.01 3.21 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.424 0.689 . . . . 0.0 112.566 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.9 -22.39 66.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.207 1.003 . . . . 0.0 111.37 169.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.68 147.59 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.008 0.923 . . . . 0.0 110.736 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.19 156.3 23.27 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.807 0.443 . . . . 0.0 111.102 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.01 129.38 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.062 0.545 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -155.8 165.94 35.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.569 0.622 . . . . 0.0 112.071 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.62 162.03 25.54 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 166.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 123.237 0.615 . . . . 0.0 112.062 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.84 -45.31 82.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.852 0.861 . . . . 0.0 111.467 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -91.37 -30.09 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.834 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.589 ' HA ' HD13 ' C' ' 51' ' ' ILE . 36.5 t80 -48.77 -39.82 26.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.217 0.607 . . . . 0.0 111.594 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.31 -20.82 2.96 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.59 1.956 . . . . 0.0 114.137 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -87.19 -39.42 15.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 172.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp . . . . . 0 N--CA 1.462 0.162 0 C-N-CA 125.454 1.501 . . . . 0.0 112.661 -168.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.538 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.3 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.42 109.67 14.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.598 1.959 . . . . 0.0 106.533 166.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.538 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.58 135.26 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.452 1.101 . . . . 0.0 109.103 -176.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -121.36 166.94 13.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.481 1.112 . . . . 0.0 110.491 172.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.16 109.83 14.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 168.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.52 127.51 54.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.238 -0.289 . . . . 0.0 110.309 -172.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -71.88 153.59 41.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.36 135.35 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.223 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -2.45 84.97 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.283 0.944 . . . . 0.0 114.257 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.94 171.38 9.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.137 1.469 . . . . 0.0 111.974 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -129.9 159.67 35.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -168.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mt -143.23 159.22 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 127.259 2.223 . . . . 0.0 108.607 -171.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.39 150.48 47.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 111.918 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -134.03 139.61 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.674 1.19 . . . . 0.0 109.11 177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.36 -135.69 51.65 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -122.37 3.29 9.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.012 0.925 . . . . 0.0 111.981 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.74 -11.83 3.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -170.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.61 137.26 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.679 0.672 . . . . 0.0 110.513 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -120.03 149.74 41.67 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.553 1.141 . . . . 0.0 109.487 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.38 145.97 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.63 1.572 . . . . 0.0 107.706 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -141.96 137.03 30.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.757 -0.589 . . . . 0.0 109.833 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.87 98.92 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.42 -30.54 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.583 -0.698 . . . . 0.0 111.1 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -173.66 40.59 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.592 -0.337 . . . . 0.0 113.636 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 m -112.45 159.56 12.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.522 0.729 . . . . 0.0 111.176 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -145.24 76.67 1.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.873 0.869 . . . . 0.0 109.909 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.23 -116.21 4.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.59 -3.76 45.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.074 0.55 . . . . 0.0 110.601 169.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -76.09 158.61 31.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.456 0.646 . . . . 0.0 111.655 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.47 125.57 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.587 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -82.53 114.59 21.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.42 121.0 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.729 0.812 . . . . 0.0 109.075 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.13 134.54 12.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -125.44 136.47 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.11 89.97 2.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.9 158.77 46.93 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 124.645 1.178 . . . . 0.0 109.424 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.85 150.15 87.22 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.72 1.613 . . . . 0.0 110.321 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -68.77 -1.06 6.21 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.05 -23.53 66.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.128 1.371 . . . . 0.0 111.81 168.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.26 159.9 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.057 0.943 . . . . 0.0 110.987 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.12 157.08 16.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.258 0.623 . . . . 0.0 112.321 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.26 124.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 168.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -149.96 156.37 41.61 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.577 0.751 . . . . 0.0 110.969 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -68.5 157.06 36.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 O-C-N 121.921 -0.487 . . . . 0.0 110.445 169.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.36 -36.16 73.05 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.958 0.903 . . . . 0.0 112.893 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.79 -18.84 64.25 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -95.64 -36.85 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.338 1.055 . . . . 0.0 111.069 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -49.44 -42.83 43.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.307 0.643 . . . . 0.0 111.761 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.68 -23.58 64.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.392 1.077 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.15 -42.96 24.96 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.815 0.846 . . . . 0.0 110.873 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 110.224 172.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.62 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.287 1.035 . . . . 0.0 109.995 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -134.64 164.98 26.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.831 1.652 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -133.17 99.9 4.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.73 132.93 52.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.367 1.467 . . . . 0.0 112.147 -168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -80.59 158.96 25.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.786 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -62.47 136.76 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.4 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.14 86.44 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.0 0.809 . . . . 0.0 114.097 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -96.03 169.71 9.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.713 1.256 . . . . 0.0 111.366 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -130.64 159.75 36.27 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -169.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 99.0 mt -135.92 156.15 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 127.108 2.163 . . . . 0.0 107.97 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.84 147.96 48.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.634 -0.666 . . . . 0.0 112.575 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -138.26 137.77 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.588 1.155 . . . . 0.0 109.177 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.32 50.6 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -125.67 7.41 7.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.701 0.801 . . . . 0.0 112.171 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -132.16 -5.83 3.45 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.77 134.91 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.112 0.869 . . . . 0.0 110.86 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -127.2 142.85 51.38 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.819 1.248 . . . . 0.0 109.375 171.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -122.68 141.23 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.015 1.326 . . . . 0.0 107.826 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.4 m -133.41 129.35 37.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.403 0.281 . . . . 0.0 110.271 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.51 106.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.36 -27.74 52.71 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.954 0.502 . . . . 0.0 110.942 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -173.97 35.02 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 123.61 0.624 . . . . 0.0 113.451 169.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -119.58 158.01 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.561 0.744 . . . . 0.0 112.275 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.97 89.99 1.65 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.824 1.249 . . . . 0.0 109.094 168.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -115.11 6.05 Favored Glycine 0 CA--C 1.526 0.734 0 O-C-N 121.62 -0.675 . . . . 0.0 112.043 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -86.68 -21.83 26.45 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 117.777 0.789 . . . . 0.0 111.16 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -76.43 149.43 36.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.2 1.0 . . . . 0.0 110.94 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.13 112.78 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 -169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -86.74 124.36 32.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.01 135.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 122.711 0.404 . . . . 0.0 110.84 -168.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.5 141.93 15.4 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 124.554 1.073 . . . . 0.0 111.39 171.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -128.89 121.94 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.139 1.375 . . . . 0.0 108.238 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -123.64 98.91 6.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 154.66 71.06 Favored Pre-proline 0 N--CA 1.451 -0.383 0 C-N-CA 124.854 1.261 . . . . 0.0 109.008 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -55.95 151.85 39.35 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 121.783 1.655 . . . . 0.0 111.511 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -65.93 -5.93 10.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.085 0.954 . . . . 0.0 111.821 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.8 -30.0 68.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.719 2.007 . . . . 0.0 113.057 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.93 155.15 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.666 0.786 . . . . 0.0 110.297 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 142.28 31.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.6 135.75 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.789 0.436 . . . . 0.0 110.298 169.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -151.89 167.38 28.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.567 0.747 . . . . 0.0 110.322 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -65.68 154.66 38.25 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -61.54 -27.15 68.41 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.782 0.433 . . . . 0.0 111.241 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.63 -41.62 86.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.949 1.3 . . . . 0.0 112.512 171.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -86.97 -34.14 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.556 1.142 . . . . 0.0 109.942 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 N--CA 1.453 -0.321 0 C-N-CA 124.426 1.09 . . . . 0.0 112.347 178.474 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -99.05 147.21 25.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.653 0.381 . . . . 0.0 111.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.82 139.13 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.715 0.806 . . . . 0.0 109.148 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.12 164.82 27.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 109.825 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.18 96.89 4.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -105.01 162.13 13.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.151 1.38 . . . . 0.0 110.786 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -123.51 169.5 11.35 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.51 135.58 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.561 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.09 -10.79 73.18 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.708 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.94 174.4 8.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.305 1.552 . . . . 0.0 112.396 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -137.55 159.75 41.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -134.41 149.42 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 125.985 1.714 . . . . 0.0 108.533 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -114.39 148.01 38.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.989 0.916 . . . . 0.0 111.55 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 76.6 mt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.749 1.22 . . . . 0.0 109.045 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -131.8 50.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.73 10.04 5.52 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.621 0.769 . . . . 0.0 112.79 174.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -130.04 -19.05 3.26 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.82 140.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.095 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -130.42 144.5 51.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.394 1.078 . . . . 0.0 110.473 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -122.23 142.43 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.118 1.767 . . . . 0.0 108.206 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -138.3 136.71 36.71 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.646 0.779 . . . . 0.0 110.432 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -95.56 98.14 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.99 -32.51 72.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.137 -0.352 . . . . 0.0 110.509 -172.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.21 170.23 18.54 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.677 0.656 . . . . 0.0 112.94 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.03 149.38 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.554 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -139.87 89.85 2.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.034 0.934 . . . . 0.0 108.748 168.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.01 -120.11 13.9 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -172.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.03 -17.75 42.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.656 0.782 . . . . 0.0 112.36 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.87 151.26 25.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.704 0.764 . . . . 0.0 110.445 171.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -135.97 119.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -86.65 124.18 32.64 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.47 140.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.272 1.029 . . . . 0.0 109.741 -168.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 143.0 17.95 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.872 0.749 . . . . 0.0 111.243 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.83 139.38 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.52 1.128 . . . . 0.0 109.467 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -129.13 108.08 10.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.426 1.091 . . . . 0.0 109.25 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.74 158.5 75.25 Favored Pre-proline 0 N--CA 1.454 -0.229 0 C-N-CA 124.067 0.947 . . . . 0.0 111.09 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.28 160.03 40.72 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.713 2.275 . . . . 0.0 111.996 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -59.75 -16.68 29.31 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.219 1.008 . . . . 0.0 113.315 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.57 -10.15 59.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.188 1.395 . . . . 0.0 112.193 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -129.07 165.12 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.142 0.977 . . . . 0.0 110.699 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.06 161.14 13.91 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.431 0.692 . . . . 0.0 111.396 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.83 125.33 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.402 0.681 . . . . 0.0 110.519 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -151.99 177.02 10.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.303 1.041 . . . . 0.0 110.167 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -78.62 163.45 25.47 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 168.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.17 -30.53 68.25 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.965 0.506 . . . . 0.0 112.205 -172.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.54 -43.51 79.96 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.114 0.966 . . . . 0.0 111.762 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -90.9 -31.62 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.593 0.757 . . . . 0.0 110.525 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 . . . . . 0 N--CA 1.455 -0.208 0 C-N-CA 124.621 1.168 . . . . 0.0 112.774 176.136 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 109.77 21.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.14 118.91 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.14 129.4 56.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.677 0.751 . . . . 0.0 108.974 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -81.03 141.05 34.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.597 1.159 . . . . 0.0 108.425 171.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' CZ ' HG12 ' A' ' 12' ' ' ILE . 8.7 tpt180 -128.28 161.32 29.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.423 1.489 . . . . 0.0 109.279 -167.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -139.28 150.01 44.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 168.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.0 t -49.67 124.96 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 122.258 0.223 . . . . 0.0 110.706 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 -5.9 58.39 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.563 1.077 . . . . 0.0 114.764 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.94 159.21 17.76 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.87 1.335 . . . . 0.0 112.185 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -130.59 143.18 50.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.7 mm -117.69 153.7 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 125.338 1.455 . . . . 0.0 109.441 175.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -123.38 136.33 54.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.139 0.975 . . . . 0.0 110.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 mt -129.71 130.47 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.211 1.004 . . . . 0.0 109.771 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.83 -130.4 36.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -124.87 1.08 8.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.297 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -134.45 -19.81 1.87 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.01 132.34 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 119.112 0.869 . . . . 0.0 110.478 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -127.08 143.97 51.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.799 0.839 . . . . 0.0 109.485 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -124.87 142.11 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.408 1.083 . . . . 0.0 108.417 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -135.35 133.8 39.15 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.419 0.688 . . . . 0.0 110.52 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -87.7 98.09 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 172.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -25.94 62.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -174.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.55 -167.96 37.96 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-N 117.794 0.27 . . . . 0.0 113.68 168.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.23 159.12 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 124.102 0.961 . . . . 0.0 111.305 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 m -138.99 74.7 1.48 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.31 1.044 . . . . 0.0 109.865 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.17 -116.63 5.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.6 -1.8 32.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.452 0.701 . . . . 0.0 111.804 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -98.91 157.11 16.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.697 0.761 . . . . 0.0 111.971 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.21 125.4 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.833 1.653 . . . . 0.0 108.323 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttm105 -111.09 101.88 10.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 110.283 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -110.63 131.09 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.366 1.466 . . . . 0.0 109.581 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.44 134.69 11.89 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 169.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -107.69 127.61 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.948 1.299 . . . . 0.0 108.117 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -114.84 74.99 0.9 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.341 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.84 152.78 40.29 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 114.199 -1.364 . . . . 0.0 110.493 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -72.52 156.59 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.489 2.126 . . . . 0.0 110.51 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -69.59 -0.96 7.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.98 -30.49 71.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.695 0.798 . . . . 0.0 111.117 168.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -118.67 143.97 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.831 0.852 . . . . 0.0 111.396 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.99 28.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.721 0.808 . . . . 0.0 110.656 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.79 129.34 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 122.633 0.373 . . . . 0.0 110.301 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -150.52 -175.99 5.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.102 1.361 . . . . 0.0 109.516 -170.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.49 168.06 18.87 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 172.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.78 -33.82 74.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.213 1.005 . . . . 0.0 112.752 -169.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.62 -26.09 42.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.166 1.387 . . . . 0.0 112.731 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -115.71 -25.67 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.596 1.558 . . . . 0.0 110.819 -174.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.452 -0.326 0 O-C-N 121.328 -0.857 . . . . 0.0 110.466 -169.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.0 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.58 120.48 42.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.71 139.35 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.791 0.437 . . . . 0.0 111.725 -166.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -132.33 139.77 48.28 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.632 1.173 . . . . 0.0 110.266 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.6 m -112.89 100.91 9.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -125.22 152.91 43.93 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.478 0.711 . . . . 0.0 110.901 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -92.62 169.03 10.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -62.27 134.35 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 110.635 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.31 -3.22 75.73 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.508 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -82.35 160.26 22.88 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 119.041 1.42 . . . . 0.0 111.775 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -130.76 147.88 52.48 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.928 0.891 . . . . 0.0 111.548 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 30.1 mt -134.69 156.02 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.686 1.594 . . . . 0.0 109.397 -170.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -139.16 144.09 38.43 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.537 -0.727 . . . . 0.0 112.588 -170.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -133.32 127.92 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.395 1.078 . . . . 0.0 109.701 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.58 50.79 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.09 5.0 7.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.779 0.832 . . . . 0.0 112.913 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -114.99 -20.73 10.39 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.65 135.39 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 119.144 0.884 . . . . 0.0 111.24 -169.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.8 m -134.56 151.01 50.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.786 1.235 . . . . 0.0 110.07 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.69 147.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.271 1.829 . . . . 0.0 108.194 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m -141.2 130.18 23.21 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.786 0.435 . . . . 0.0 110.215 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.39 107.37 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 171.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.15 -31.92 58.81 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.171 -0.33 . . . . 0.0 111.056 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.22 -175.62 36.98 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-O 120.413 -0.104 . . . . 0.0 113.191 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -113.11 153.9 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.332 0.587 . . . . 0.0 111.477 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -137.66 72.83 1.42 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.948 1.299 . . . . 0.0 108.709 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.86 -114.6 4.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.541 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.32 15.5 23.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.566 0.698 . . . . 0.0 111.426 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -98.94 159.75 14.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.968 167.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.1 t -144.36 118.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.881 0.872 . . . . 0.0 108.825 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.26 34.0 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.291 1.037 . . . . 0.0 109.611 -176.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.13 137.07 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 123.544 0.738 . . . . 0.0 111.151 -168.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.56 142.31 16.02 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 123.755 0.693 . . . . 0.0 112.173 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -126.51 131.91 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.082 0.953 . . . . 0.0 109.082 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -133.07 79.83 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.821 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.75 58.96 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.653 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -60.3 153.17 61.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 121.711 1.607 . . . . 0.0 109.341 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -70.1 -0.85 8.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 122.111 0.958 . . . . 0.0 111.997 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.87 -21.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.928 1.691 . . . . 0.0 110.95 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.49 144.08 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.141 1.376 . . . . 0.0 109.527 175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.08 27.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.32 116.01 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.186 0.994 . . . . 0.0 109.683 171.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.52 160.84 41.02 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.777 1.231 . . . . 0.0 110.811 169.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.0 ptt-85 -67.91 156.69 36.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.725 0.41 . . . . 0.0 111.314 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.46 -40.05 74.21 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.81 -18.67 65.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.24 -50.47 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.939 0.896 . . . . 0.0 110.567 172.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.08 -35.85 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.452 1.101 . . . . 0.0 111.874 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -71.6 -20.81 61.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -79.39 -39.54 32.27 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.482 1.037 . . . . 0.0 110.089 168.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' B' ' 52' ' ' GLN . 90.5 mt -64.44 -40.88 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -176.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.7 mm-40 -79.74 4.98 14.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.64 -19.26 45.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.042 0.537 . . . . 0.0 111.573 168.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.22 46.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 CA-C-O 119.396 -0.669 . . . . 0.0 114.439 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.03 -175.69 2.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.973 0.886 . . . . 0.0 112.844 -168.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.6 p -126.39 178.41 5.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.373 1.469 . . . . 0.0 109.367 167.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.16 118.64 1.16 Allowed Pre-proline 0 N--CA 1.455 -0.21 0 C-N-CA 124.591 1.156 . . . . 0.0 111.676 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -67.08 173.63 8.14 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.101 1.867 . . . . 0.0 113.96 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 124.322 1.049 . . . . 0.0 112.373 175.074 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.216 -0.421 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.25 111.4 22.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 166.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.75 134.39 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.941 0.896 . . . . 0.0 109.867 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -129.03 135.71 49.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.599 1.16 . . . . 0.0 109.639 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.5 p -94.89 144.3 25.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.404 0.282 . . . . 0.0 110.789 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.1 123.95 12.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.539 0.336 . . . . 0.0 110.828 -173.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -71.8 149.94 44.83 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 124.196 0.998 . . . . 0.0 109.121 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.59 134.48 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 CA-C-N 119.135 0.88 . . . . 0.0 111.604 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 -5.3 82.67 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.524 1.059 . . . . 0.0 114.254 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -89.85 179.58 5.95 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.134 1.467 . . . . 0.0 112.139 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -141.13 160.01 41.01 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -166.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.25 157.36 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 127.859 2.464 . . . . 0.0 108.256 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -132.31 148.77 52.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.766 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -133.41 133.39 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.343 1.057 . . . . 0.0 108.913 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.42 -138.42 43.61 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.45 9.95 9.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.979 0.912 . . . . 0.0 111.952 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -118.04 -17.25 9.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.344 1.058 . . . . 0.0 113.143 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.77 140.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.41 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -129.83 139.66 51.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.965 1.306 . . . . 0.0 109.249 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.99 137.11 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.49 1.116 . . . . 0.0 108.442 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -131.83 130.44 41.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.619 0.368 . . . . 0.0 110.24 -175.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -84.21 116.65 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 169.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.4 mt -92.59 -34.52 13.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -174.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.69 178.08 38.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 113.846 0.298 . . . . 0.0 113.846 168.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.08 149.13 14.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 C-N-CA 123.628 0.771 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -144.44 98.91 3.28 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.836 1.254 . . . . 0.0 108.696 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -131.22 22.18 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -169.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.1 0.62 57.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.886 0.874 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 153.83 20.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.048 0.939 . . . . 0.0 110.565 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.02 121.0 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.067 0.947 . . . . 0.0 108.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.618 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.5 ttm180 -78.43 114.76 17.62 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -122.02 127.79 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.642 1.177 . . . . 0.0 109.476 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.6 135.44 12.36 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 123.782 0.706 . . . . 0.0 111.778 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -119.09 117.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.13 0.972 . . . . 0.0 108.639 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -115.66 94.71 4.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.206 0.603 . . . . 0.0 110.073 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.79 78.61 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.364 1.066 . . . . 0.0 109.905 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -62.65 154.01 68.1 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.596 2.198 . . . . 0.0 111.286 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.73 -1.03 3.34 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.339 0.656 . . . . 0.0 112.499 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.9 -22.19 66.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.01 148.04 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.099 0.96 . . . . 0.0 110.74 175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.99 156.98 20.9 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.732 0.413 . . . . 0.0 111.231 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.26 133.75 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.127 0.571 . . . . 0.0 109.641 169.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -154.29 166.06 34.37 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 123.47 0.708 . . . . 0.0 111.487 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.586 HH21 HD22 ' D' ' 4' ' ' LEU . 9.8 ptp85 -82.46 160.99 22.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -32.95 71.46 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.32 -45.6 87.76 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.712 0.805 . . . . 0.0 111.662 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.04 -30.5 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.247 0.619 . . . . 0.0 110.589 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -51.64 -38.73 56.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.671 0.789 . . . . 0.0 111.975 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.98 -28.03 67.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.659 0.784 . . . . 0.0 112.59 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -73.05 -40.58 64.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.22 0.608 . . . . 0.0 111.687 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.456 -0.162 0 O-C-N 121.858 -0.526 . . . . 0.0 110.005 175.332 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.53 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.9 tpp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.19 109.92 19.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -93.07 128.14 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.214 1.006 . . . . 0.0 108.74 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . 0.586 HD22 HH21 ' C' ' 44' ' ' ARG . 17.3 mt -112.04 168.14 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.106 0.962 . . . . 0.0 110.047 169.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.17 109.68 12.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.3 130.81 57.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.997 -0.44 . . . . 0.0 111.178 -168.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -73.22 152.24 41.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.746 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.87 137.97 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.343 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.83 -3.28 87.12 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.388 0.994 . . . . 0.0 114.115 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -91.23 171.29 9.34 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.099 1.449 . . . . 0.0 112.009 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -129.58 156.72 43.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.482 0.713 . . . . 0.0 112.872 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.92 160.81 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 126.713 2.005 . . . . 0.0 108.85 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -139.57 149.42 43.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.058 0.943 . . . . 0.0 112.053 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.16 138.44 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.833 1.253 . . . . 0.0 109.053 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.41 -136.27 50.82 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -127.53 10.0 6.63 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 112.551 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -128.5 -12.82 4.93 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.49 137.89 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.055 0.843 . . . . 0.0 111.146 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 64.1 m -123.43 150.22 44.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.678 1.191 . . . . 0.0 109.722 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -133.67 147.24 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.904 1.681 . . . . 0.0 107.64 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -141.65 131.87 24.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.581 -0.699 . . . . 0.0 109.679 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -88.03 99.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.47 -30.91 63.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.875 0.47 . . . . 0.0 110.958 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.03 -172.28 39.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.26 158.51 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 121.217 0.532 . . . . 0.0 110.906 169.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 23.4 t -142.76 78.72 1.62 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.85 1.26 . . . . 0.0 108.273 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.43 -115.34 5.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.421 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mp0 -91.55 -14.67 29.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.167 0.987 . . . . 0.0 110.941 175.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -79.46 149.33 31.59 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.797 0.808 . . . . 0.0 110.869 170.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.97 127.17 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttm-85 -93.17 109.87 21.37 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.87 127.7 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.588 0.755 . . . . 0.0 109.922 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 135.8 12.43 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 123.968 0.794 . . . . 0.0 111.12 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.15 140.03 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.411 1.085 . . . . 0.0 108.792 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.11 89.91 2.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.42 0.688 . . . . 0.0 109.685 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.52 156.67 58.04 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 124.346 1.058 . . . . 0.0 109.874 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -61.34 150.64 84.0 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.156 1.904 . . . . 0.0 110.732 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.51 -1.31 6.37 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.05 -23.26 66.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.891 1.277 . . . . 0.0 111.529 168.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.03 159.23 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.12 157.1 16.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.309 0.643 . . . . 0.0 112.2 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.43 127.04 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.926 0.491 . . . . 0.0 110.054 168.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -150.22 166.65 29.26 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.759 0.824 . . . . 0.0 111.506 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -63.96 157.81 24.01 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 168.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.4 -34.32 77.47 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.446 -0.784 . . . . 0.0 111.682 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.83 -26.32 66.86 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 112.529 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.7 -43.96 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.797 0.839 . . . . 0.0 110.636 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.49 -38.81 14.58 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.84 1.256 . . . . 0.0 112.082 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.51 -21.05 62.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.341 1.057 . . . . 0.0 113.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -44.28 25.14 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.441 1.096 . . . . 0.0 110.223 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.628 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 125.278 1.431 . . . . 0.0 110.155 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.75 -0.093 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.38 131.72 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.59 0.756 . . . . 0.0 109.056 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -126.71 164.96 20.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.495 1.518 . . . . 0.0 110.668 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.58 104.29 6.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 167.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.94 124.68 53.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.61 1.564 . . . . 0.0 109.838 -171.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -90.64 165.73 13.56 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.764 1.165 . . . . 0.0 112.535 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.72 135.69 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.768 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.49 82.11 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.14 0.876 . . . . 0.0 114.104 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -95.38 167.17 11.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.56 1.18 . . . . 0.0 111.423 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -131.51 166.12 22.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -168.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -150.45 155.69 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.772 2.429 . . . . 0.0 108.222 -167.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -136.41 150.88 48.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.9 mt -136.87 137.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.795 1.238 . . . . 0.0 108.903 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -141.19 46.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -117.15 2.89 12.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.932 0.893 . . . . 0.0 112.026 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.07 -7.09 2.69 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.31 135.93 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.994 0.815 . . . . 0.0 110.841 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -125.98 142.29 51.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 109.865 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.27 140.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.983 1.313 . . . . 0.0 108.413 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -138.11 130.57 29.22 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.117 0.567 . . . . 0.0 109.987 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -82.79 106.89 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.45 -31.08 53.58 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.895 -0.503 . . . . 0.0 111.008 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.31 -175.48 35.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 113.838 0.295 . . . . 0.0 113.838 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.83 158.58 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.85 0.86 . . . . 0.0 112.065 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -150.02 89.97 1.64 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.846 1.258 . . . . 0.0 108.939 169.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.45 -113.48 5.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -174.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.7 -20.59 21.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.557 0.678 . . . . 0.0 111.591 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -74.9 142.19 44.07 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.167 0.508 . . . . 0.0 110.084 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.28 117.98 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -87.86 125.32 34.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.68 132.32 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.732 0.813 . . . . 0.0 110.352 -168.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.33 141.43 15.25 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.347 0.975 . . . . 0.0 111.72 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -135.17 124.32 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.899 1.28 . . . . 0.0 108.929 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -125.29 99.73 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.75 155.34 78.14 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.489 1.116 . . . . 0.0 110.433 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.2 158.22 40.82 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.857 2.371 . . . . 0.0 112.183 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.59 -1.0 12.02 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.473 0.709 . . . . 0.0 112.702 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -23.16 66.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.814 1.246 . . . . 0.0 111.947 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.8 159.21 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.898 0.879 . . . . 0.0 110.925 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.03 16.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.035 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . 0.431 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.07 128.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.881 0.472 . . . . 0.0 110.335 169.369 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -152.31 171.23 18.32 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.386 1.074 . . . . 0.0 110.243 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -83.77 163.96 19.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 168.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.57 66.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.3 -46.01 83.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.769 0.827 . . . . 0.0 110.602 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -82.33 -39.04 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.562 0.745 . . . . 0.0 109.91 -174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 124.105 0.962 . . . . 0.0 112.078 178.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . 0.431 HD12 HG13 ' E' ' 42' ' ' VAL . 6.7 mt -95.29 148.4 22.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.978 -0.451 . . . . 0.0 111.53 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.46 135.52 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.751 0.82 . . . . 0.0 108.834 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -128.95 161.36 30.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.697 1.199 . . . . 0.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.98 97.14 4.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 168.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -106.18 149.29 26.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.496 1.118 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -96.39 168.84 10.32 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.63 141.14 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 0.0 112.298 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.76 83.33 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.079 0.847 . . . . 0.0 113.788 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -91.74 174.6 7.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.74 1.27 . . . . 0.0 112.587 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -132.69 160.49 36.6 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.685 0.794 . . . . 0.0 112.807 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -141.12 157.01 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.253 1.821 . . . . 0.0 108.241 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -134.18 143.47 47.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.647 0.779 . . . . 0.0 111.538 -169.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.68 140.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.464 1.106 . . . . 0.0 109.318 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.25 -139.06 48.97 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.48 4.86 11.74 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 172.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -136.46 -13.88 1.74 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.17 135.52 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 119.063 0.847 . . . . 0.0 110.418 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -129.64 141.23 50.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.786 0.835 . . . . 0.0 110.386 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -117.33 142.0 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 C-N-CA 125.855 1.662 . . . . 0.0 108.141 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -134.21 128.18 33.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.311 0.644 . . . . 0.0 109.653 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -84.22 108.78 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.59 -24.51 36.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.483 0.713 . . . . 0.0 111.068 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.58 -170.88 32.38 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.101 0.381 . . . . 0.0 113.878 168.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.95 155.43 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.74 0.816 . . . . 0.0 111.973 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -142.16 89.94 2.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.792 1.237 . . . . 0.0 108.849 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.95 -106.78 1.76 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -93.1 -20.81 20.15 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 117.358 0.579 . . . . 0.0 111.808 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -73.04 139.33 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 122.894 0.478 . . . . 0.0 110.11 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.8 t -130.64 113.68 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -88.15 118.54 27.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.255 1.022 . . . . 0.0 109.234 -174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.86 133.47 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.652 0.781 . . . . 0.0 110.374 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.89 142.04 15.4 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.222 0.915 . . . . 0.0 111.283 171.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -130.09 131.08 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.437 1.095 . . . . 0.0 109.458 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -126.3 106.63 9.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.216 1.007 . . . . 0.0 109.234 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.22 158.28 76.0 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 111.336 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.58 161.81 33.81 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.968 2.445 . . . . 0.0 112.341 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.01 -11.66 59.33 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.635 0.774 . . . . 0.0 112.659 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.96 -20.51 66.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.083 1.353 . . . . 0.0 112.594 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -126.89 164.28 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.769 0.828 . . . . 0.0 111.299 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.64 162.84 13.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.135 0.574 . . . . 0.0 111.661 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.01 123.99 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.508 0.723 . . . . 0.0 109.885 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -153.41 173.58 15.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.181 0.992 . . . . 0.0 110.124 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -76.68 158.66 30.85 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 167.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.26 -21.22 66.71 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.71 -46.18 77.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.588 0.755 . . . . 0.0 111.587 171.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.1 -31.63 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.743 0.817 . . . . 0.0 110.203 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 174.624 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.06 109.54 22.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.702 0.801 . . . . 0.0 109.198 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.86 136.62 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.006 0.922 . . . . 0.0 109.152 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.97 154.85 50.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.207 1.003 . . . . 0.0 109.745 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -115.66 100.92 8.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.08 133.2 54.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.47 0.708 . . . . 0.0 110.452 -168.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.66 154.32 18.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.768 0.427 . . . . 0.0 109.863 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.97 124.36 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 122.88 0.472 . . . . 0.0 111.004 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.41 -5.87 60.91 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.849 1.214 . . . . 0.0 114.44 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -96.97 169.05 10.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.796 1.298 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -135.92 150.1 49.19 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -168.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 5.9 mm -106.68 158.41 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 125.876 1.67 . . . . 0.0 109.67 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -130.71 138.97 50.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.615 1.166 . . . . 0.0 110.13 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.7 mt -132.9 130.5 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.17 0.988 . . . . 0.0 109.55 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.53 -126.1 27.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.96 3.62 4.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.641 0.777 . . . . 0.0 112.358 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -136.77 -20.17 1.32 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -169.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.96 136.33 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.858 0.754 . . . . 0.0 110.221 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -130.8 141.66 50.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.765 0.826 . . . . 0.0 109.418 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.32 141.86 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.63 1.172 . . . . 0.0 108.147 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -135.84 132.95 37.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.635 0.652 . . . . 0.0 110.324 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -83.39 101.11 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 169.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.29 -28.8 61.35 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.026 -0.421 . . . . 0.0 110.115 -175.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -169.26 38.81 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 122.938 0.304 . . . . 0.0 113.399 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.28 153.25 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.696 0.798 . . . . 0.0 111.519 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -138.38 60.96 1.6 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.878 1.271 . . . . 0.0 109.681 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.74 -123.52 6.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -76.95 -18.45 58.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.418 0.609 . . . . 0.0 112.222 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.8 pt20 -98.77 149.74 22.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.36 1.076 . . . . 0.0 112.053 174.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.14 126.38 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.841 1.657 . . . . 0.0 108.961 -168.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -90.94 101.99 14.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.853 0.861 . . . . 0.0 109.667 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -110.08 133.77 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.472 1.109 . . . . 0.0 109.677 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.92 140.9 15.78 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.974 0.797 . . . . 0.0 111.682 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -114.41 136.18 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 125.48 1.512 . . . . 0.0 108.325 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.29 74.96 1.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.005 . . . . 0.0 109.233 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.04 154.4 39.57 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 125.247 1.419 . . . . 0.0 110.7 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.03 153.14 57.68 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.581 2.187 . . . . 0.0 110.35 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -68.95 -3.84 14.39 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -69.28 -25.48 64.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.939 0.896 . . . . 0.0 112.073 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -115.62 144.02 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.875 0.845 . . . . 0.0 111.693 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.52 143.0 28.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.133 0.973 . . . . 0.0 110.749 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 128.57 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.581 0.352 . . . . 0.0 110.387 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -152.41 172.91 15.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.212 1.005 . . . . 0.0 110.567 -170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 163.14 12.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.912 -0.493 . . . . 0.0 110.962 176.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -64.1 -37.32 87.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -75.35 -3.11 31.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -115.73 -31.29 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 111.057 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.0 t80 . . . . . 0 N--CA 1.45 -0.438 0 O-C-N 121.362 -0.836 . . . . 0.0 110.677 -170.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -116.6 121.18 40.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.835 1.654 . . . . 0.0 107.603 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.01 142.58 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -164.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -144.74 143.88 30.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.734 1.213 . . . . 0.0 111.307 -171.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 134.27 34.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 166.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 2.4 tpm_? -132.9 118.77 19.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.067 0.547 . . . . 0.0 110.163 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 38.6 ttpt -87.06 149.44 24.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -55.19 130.69 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.756 -168.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.19 56.27 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.135 0.874 . . . . 0.0 114.805 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.98 164.49 13.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.798 1.299 . . . . 0.0 111.659 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -130.41 159.95 35.49 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -141.22 155.42 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.546 1.938 . . . . 0.0 109.306 -172.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -134.77 140.95 46.3 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.737 0.815 . . . . 0.0 111.613 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.7 129.73 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 124.353 1.061 . . . . 0.0 109.327 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -135.56 51.78 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -122.85 3.37 9.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.692 0.797 . . . . 0.0 112.22 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -120.48 -17.73 8.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.629 0.771 . . . . 0.0 112.975 -172.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.65 136.53 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.782 0.719 . . . . 0.0 110.786 -171.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -132.85 149.33 52.27 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.737 1.215 . . . . 0.0 109.927 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -128.79 144.51 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 126.029 1.732 . . . . 0.0 108.174 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -138.02 132.87 32.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 122.809 0.444 . . . . 0.0 110.502 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.94 100.15 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.68 -32.67 68.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.582 -0.699 . . . . 0.0 111.101 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.53 178.84 36.72 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 122.702 0.192 . . . . 0.0 112.849 173.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.43 147.84 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -131.43 71.18 1.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 0.0 108.686 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 -112.54 3.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.58 13.19 25.45 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 111.711 170.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.01 156.25 17.02 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.319 1.047 . . . . 0.0 109.093 167.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.0 t -137.58 119.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.88 120.85 29.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.282 1.033 . . . . 0.0 109.789 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.71 133.72 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.324 1.05 . . . . 0.0 109.823 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 138.93 14.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -121.1 132.33 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.839 0.828 . . . . 0.0 109.541 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -133.0 75.91 1.65 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.666 -168.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.1 157.41 55.44 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.605 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -60.29 155.53 45.68 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 121.695 1.597 . . . . 0.0 109.786 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.902 0.881 . . . . 0.0 111.669 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.84 -23.96 66.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.997 1.719 . . . . 0.0 111.087 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.23 144.09 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.63 1.172 . . . . 0.0 109.828 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.54 142.03 29.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.461 0.648 . . . . 0.0 111.185 171.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 t -142.2 96.53 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.019 -166.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.08 159.38 43.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.781 0.433 . . . . 0.0 111.895 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.5 ptt-85 -66.4 159.98 25.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.037 0.535 . . . . 0.0 111.899 170.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.56 -39.54 76.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.171 0.588 . . . . 0.0 112.267 -173.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.97 -2.17 11.8 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -105.56 -51.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.143 0.977 . . . . 0.0 109.762 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -50.11 -37.52 34.43 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.968 1.307 . . . . 0.0 112.058 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.47 -21.81 62.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.7 -42.73 27.65 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.966 0.803 . . . . 0.0 110.138 169.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.3 mt -63.19 -38.5 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 123.315 0.646 . . . . 0.0 109.355 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' B' ' 51' ' ' ILE . 22.9 mm-40 -81.33 4.0 22.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 174.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.49 -18.72 44.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.282 0.633 . . . . 0.0 111.816 169.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.63 49.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.664 0 C-N-CA 123.411 0.529 . . . . 0.0 113.968 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.97 -177.2 2.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 117.535 0.668 . . . . 0.0 112.468 -168.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 37.9 p -127.55 -175.67 3.53 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.142 1.377 . . . . 0.0 109.644 168.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 123.88 2.8 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 124.023 0.929 . . . . 0.0 111.27 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.92 168.48 7.17 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.855 2.37 . . . . 0.0 114.294 -169.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.971 1.308 . . . . 0.0 113.096 -178.475 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpp . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 110.07 19.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 167.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.06 133.54 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.156 0.983 . . . . 0.0 109.663 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.63 134.98 46.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.316 1.046 . . . . 0.0 109.686 171.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.3 p -106.97 140.67 39.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.529 0.332 . . . . 0.0 111.076 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.608 ' HE ' ' CG2' ' C' ' 22' ' ' ILE 0.275 0.0 OUTLIER -146.17 161.3 40.51 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.737 165.511 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.9 tptm -74.84 156.25 36.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.986 1.714 . . . . 0.0 109.861 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -57.97 138.98 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 118.856 0.753 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -4.98 82.57 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.708 1.147 . . . . 0.0 114.507 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.02 177.62 6.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.97 1.385 . . . . 0.0 112.971 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -139.25 156.84 46.79 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.36 1.064 . . . . 0.0 113.096 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.461 HG13 ' HD3' ' C' ' 6' ' ' ARG . 9.7 mt -146.35 151.48 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 126.874 2.07 . . . . 0.0 108.708 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -117.2 148.13 41.88 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.185 0.994 . . . . 0.0 111.517 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -130.94 127.79 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.68 1.192 . . . . 0.0 108.658 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.8 -134.38 51.88 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.256 -1.137 . . . . 0.0 110.256 -169.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.58 7.2 6.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.714 0.806 . . . . 0.0 111.782 168.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -111.42 -19.95 12.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.336 1.054 . . . . 0.0 112.94 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.38 139.13 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.461 0.705 . . . . 0.0 110.814 -170.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -129.37 141.37 51.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.366 1.066 . . . . 0.0 109.741 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -119.67 139.57 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.271 1.428 . . . . 0.0 108.507 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -135.83 130.19 33.57 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.886 0.474 . . . . 0.0 110.156 -174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.608 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.4 tp -85.38 122.58 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.9 mt -97.15 -37.59 10.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -176.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.82 -173.24 43.39 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.48 -0.39 . . . . 0.0 113.877 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.31 152.24 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 C-N-CA 123.525 0.73 . . . . 0.0 110.896 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.21 93.08 2.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.008 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -126.05 10.82 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.1 -0.18 57.11 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.919 0.887 . . . . 0.0 112.139 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.84 153.23 22.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.51 0.724 . . . . 0.0 110.901 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.12 125.41 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 107.799 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 38.1 ttm-85 -88.7 117.32 27.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -120.28 130.84 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.189 1.396 . . . . 0.0 109.032 -175.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.97 139.63 14.56 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.956 0.789 . . . . 0.0 111.427 172.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -124.88 123.8 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.355 1.062 . . . . 0.0 108.497 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -121.78 92.39 3.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.374 0.669 . . . . 0.0 109.604 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.53 156.67 76.82 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.474 1.109 . . . . 0.0 109.684 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.44 150.82 83.39 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.361 2.04 . . . . 0.0 110.767 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -66.11 -0.95 2.74 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.515 0.726 . . . . 0.0 112.456 172.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.9 -23.99 66.75 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.505 1.122 . . . . 0.0 111.443 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -121.29 148.83 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.116 0.966 . . . . 0.0 110.546 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 156.95 20.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.514 0.325 . . . . 0.0 111.326 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.11 130.86 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 123.118 0.567 . . . . 0.0 109.532 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -155.91 165.38 36.66 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.308 0.643 . . . . 0.0 111.707 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -83.44 161.97 21.14 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.31 -37.03 79.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -168.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.77 -19.89 62.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mm -95.67 -35.59 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.545 0.738 . . . . 0.0 110.69 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -51.81 -36.8 49.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.287 1.035 . . . . 0.0 112.375 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.91 -28.53 66.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.817 0.847 . . . . 0.0 112.634 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -68.65 -39.08 80.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.346 0.658 . . . . 0.0 111.776 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.429 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.458 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.2 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.76 117.03 33.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.01 0.924 . . . . 0.0 109.314 170.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.458 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.2 mp -101.21 137.87 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.82 142.56 30.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.025 1.33 . . . . 0.0 108.768 -169.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.61 121.08 44.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -131.16 127.92 39.0 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.486 -0.292 . . . . 0.0 110.924 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.29 154.31 41.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.358 0.526 . . . . 0.0 110.367 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' D' ' 25' ' ' VAL . 15.4 m -52.64 135.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.191 169.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.84 -2.55 82.27 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.476 1.036 . . . . 0.0 114.214 178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -95.79 171.04 8.9 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.005 1.403 . . . . 0.0 112.001 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -128.38 156.6 42.87 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -168.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -141.48 160.24 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 127.566 2.346 . . . . 0.0 108.8 -173.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -140.99 150.72 43.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.14 138.71 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.76 1.224 . . . . 0.0 109.126 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.03 -137.55 50.35 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.35 7.96 9.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.176 0.99 . . . . 0.0 111.761 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -133.88 -11.71 2.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.17 138.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 118.777 0.717 . . . . 0.0 110.802 -171.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -122.53 146.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.506 1.123 . . . . 0.0 109.689 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.98 143.78 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.77 1.628 . . . . 0.0 107.64 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -142.15 132.16 24.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.666 -0.646 . . . . 0.0 110.099 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -87.65 93.57 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.19 -31.99 70.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.088 0.555 . . . . 0.0 111.116 -169.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -172.11 42.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 121.424 0.458 . . . . 0.0 112.913 170.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -134.81 132.63 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.17 1.388 . . . . 0.0 109.804 -171.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -141.09 88.94 2.2 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.035 0.934 . . . . 0.0 109.568 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -121.9 10.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -97.09 -12.01 23.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.655 0.782 . . . . 0.0 110.889 174.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -74.37 145.13 44.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 169.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.64 132.45 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -100.63 111.24 23.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.073 1.349 . . . . 0.0 108.657 -169.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.478 HG13 HH12 ' C' ' 6' ' ' ARG . 2.1 mt -125.45 128.15 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.073 -168.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.34 138.61 14.19 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.71 139.74 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.264 1.026 . . . . 0.0 108.343 172.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.04 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.67 156.08 59.12 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.622 1.169 . . . . 0.0 109.639 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -61.04 150.14 85.64 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.002 1.801 . . . . 0.0 110.57 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.69 -1.17 6.33 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.01 -23.18 66.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.736 1.215 . . . . 0.0 111.401 168.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.11 160.01 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.187 0.995 . . . . 0.0 110.726 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 157.11 16.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.532 0.733 . . . . 0.0 112.183 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.45 122.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 O-C-N 121.874 -0.516 . . . . 0.0 110.311 168.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -148.73 157.05 43.17 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -64.0 160.26 18.29 Favored 'General case' 0 C--O 1.227 -0.102 0 O-C-N 121.788 -0.57 . . . . 0.0 110.731 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.26 -34.31 76.29 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.325 0.512 . . . . 0.0 111.819 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.32 -51.53 66.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 111.29 170.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -72.59 -40.48 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.256 1.022 . . . . 0.0 110.205 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.9 -39.04 62.42 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.479 1.512 . . . . 0.0 111.9 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.97 -22.93 63.15 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.36 1.064 . . . . 0.0 112.966 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.62 -41.49 45.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.623 0.769 . . . . 0.0 110.566 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.601 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 C--N 1.334 -0.106 0 C-N-CA 125.286 1.434 . . . . 0.0 109.934 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.39 138.07 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.302 1.041 . . . . 0.0 109.728 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -134.22 165.04 26.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.849 1.66 . . . . 0.0 110.817 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.68 98.22 4.27 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 168.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.01 131.18 52.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.623 1.569 . . . . 0.0 111.757 -168.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -81.43 157.66 24.87 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.61 0.243 . . . . 0.0 111.624 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -60.72 136.41 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.042 0.448 . . . . 0.0 111.533 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.09 -3.27 84.4 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.13 0.872 . . . . 0.0 114.241 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -94.26 167.15 11.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.734 1.267 . . . . 0.0 111.5 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -129.64 159.51 36.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -137.9 157.77 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.798 2.039 . . . . 0.0 108.186 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -136.52 148.7 47.75 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.432 -0.793 . . . . 0.0 112.829 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -137.5 138.44 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.669 1.188 . . . . 0.0 109.151 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.82 -136.75 50.95 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.29 10.03 6.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.819 0.848 . . . . 0.0 112.489 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.86 -11.59 4.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.2 136.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 119.212 0.915 . . . . 0.0 111.197 -169.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -127.43 143.18 51.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -123.61 143.77 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.304 1.441 . . . . 0.0 108.026 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -138.94 128.47 24.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.785 0.434 . . . . 0.0 109.9 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.2 105.95 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 169.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.86 -33.44 60.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.763 -0.586 . . . . 0.0 110.441 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -178.23 37.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 113.872 0.309 . . . . 0.0 113.872 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.1 151.51 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.688 0.795 . . . . 0.0 111.789 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -141.77 89.85 2.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.913 1.285 . . . . 0.0 108.815 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -112.43 5.0 Favored Glycine 0 CA--C 1.526 0.754 0 O-C-N 121.763 -0.585 . . . . 0.0 111.921 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -89.88 -25.68 20.86 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.58 0.69 . . . . 0.0 111.666 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -72.9 147.29 45.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.234 0.614 . . . . 0.0 110.048 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.81 120.65 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -82.23 114.46 20.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.34 0.656 . . . . 0.0 109.471 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.74 124.51 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.706 0.802 . . . . 0.0 110.001 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.55 140.76 15.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.297 0.951 . . . . 0.0 111.418 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -133.89 127.95 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 109.064 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -131.17 98.98 4.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 156.22 75.94 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.767 1.227 . . . . 0.0 110.018 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.36 157.85 33.92 Favored 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 122.613 2.208 . . . . 0.0 111.849 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -67.73 -0.99 4.58 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.49 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.96 -24.92 67.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.077 1.351 . . . . 0.0 111.909 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.71 155.11 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.118 0.967 . . . . 0.0 110.84 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.34 155.1 20.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.408 170.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.27 125.83 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.795 0.438 . . . . 0.0 110.394 169.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -152.03 169.18 22.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.343 1.057 . . . . 0.0 110.039 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 30.8 ptt-85 -76.56 164.47 25.91 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.626 -0.671 . . . . 0.0 110.301 169.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.13 -27.57 68.49 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.88 0.472 . . . . 0.0 112.148 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.5 -43.04 93.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.342 1.057 . . . . 0.0 112.374 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -86.56 -33.34 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.849 0.86 . . . . 0.0 110.279 -171.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.454 -0.256 0 C-N-CA 124.242 1.017 . . . . 0.0 112.483 178.35 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.099 0.037 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.91 150.79 20.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.678 0.391 . . . . 0.0 111.35 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.26 121.57 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.51 153.14 25.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.884 1.674 . . . . 0.0 108.98 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 104.67 10.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 168.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.69 127.54 55.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.95 1.3 . . . . 0.0 110.19 -169.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.8 164.99 13.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 119.46 1.027 . . . . 0.0 112.705 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -59.25 136.33 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.091 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.57 -4.78 76.67 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.25 0.929 . . . . 0.0 114.173 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -97.55 169.51 9.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.72 1.26 . . . . 0.0 111.745 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -133.77 158.13 44.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -169.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 50.4 mt -136.93 150.37 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 126.065 1.746 . . . . 0.0 108.819 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -122.52 148.83 44.71 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.548 0.739 . . . . 0.0 111.808 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -135.64 137.52 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.736 1.214 . . . . 0.0 109.233 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.94 -136.24 50.11 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -120.26 3.09 10.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.758 0.823 . . . . 0.0 112.335 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.91 -13.83 1.42 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.52 134.63 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 119.122 0.873 . . . . 0.0 110.462 -174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -128.65 142.07 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.916 0.886 . . . . 0.0 110.373 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -121.18 143.15 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.954 1.702 . . . . 0.0 108.091 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 44.0 m -137.11 130.38 31.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.094 0.558 . . . . 0.0 109.907 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.37 109.29 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.53 -27.77 34.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.142 0.577 . . . . 0.0 111.116 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.67 -175.37 35.0 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 123.3 0.476 . . . . 0.0 113.157 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.08 153.68 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.363 0.665 . . . . 0.0 111.415 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -146.38 89.84 1.89 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.368 1.067 . . . . 0.0 108.721 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.61 -121.98 28.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -171.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.86 -22.01 40.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.3 145.21 39.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.442 0.639 . . . . 0.0 110.494 175.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.23 118.94 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -85.94 127.17 34.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.37 140.64 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.902 0.881 . . . . 0.0 109.925 -169.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 142.1 17.23 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.244 0.926 . . . . 0.0 111.328 174.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.49 135.66 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 124.279 1.032 . . . . 0.0 109.554 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -129.02 109.52 11.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 109.208 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.5 157.67 76.84 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.74 0.816 . . . . 0.0 111.285 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.15 160.44 41.95 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.957 2.438 . . . . 0.0 112.318 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -64.14 -12.3 38.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.72 -15.41 61.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.798 1.239 . . . . 0.0 112.587 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.56 163.99 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.888 0.875 . . . . 0.0 111.029 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 161.49 13.77 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.244 0.618 . . . . 0.0 111.462 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -154.96 125.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.485 0.714 . . . . 0.0 110.17 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -152.92 173.71 15.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.194 0.998 . . . . 0.0 109.919 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.88 163.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.725 -0.609 . . . . 0.0 109.925 168.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.87 -29.78 69.74 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.776 0.43 . . . . 0.0 112.113 -171.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.39 -44.54 76.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.089 0.955 . . . . 0.0 111.67 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -89.65 -30.75 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.551 0.741 . . . . 0.0 110.378 -170.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.184 0.994 . . . . 0.0 112.644 175.839 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 111.36 23.52 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.518 0.727 . . . . 0.0 109.437 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.59 133.3 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.507 0.723 . . . . 0.0 109.778 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -132.59 162.27 31.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.456 1.102 . . . . 0.0 109.761 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 129.06 47.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -175.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -126.64 165.63 18.84 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.763 0.825 . . . . 0.0 109.931 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -129.09 158.41 39.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.3 t -51.16 120.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.545 0.212 . . . . 0.0 110.826 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.93 -5.47 56.43 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.466 1.031 . . . . 0.0 114.53 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -93.18 170.21 9.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.84 1.32 . . . . 0.0 112.151 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -141.02 157.16 45.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 18.0 mm -119.19 155.46 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.248 1.819 . . . . 0.0 109.437 169.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -126.71 139.81 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.4 1.08 . . . . 0.0 110.617 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.49 132.72 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.162 0.985 . . . . 0.0 109.707 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.17 27.52 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.46 -3.91 6.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.941 0.896 . . . . 0.0 112.426 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -134.26 -18.7 1.99 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.3 mt -104.26 138.57 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.692 0.678 . . . . 0.0 110.501 -169.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -137.0 147.33 46.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.861 0.864 . . . . 0.0 109.499 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.88 144.08 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.633 1.173 . . . . 0.0 108.413 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -139.7 137.13 34.92 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.47 0.577 . . . . 0.0 110.551 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.97 103.5 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.81 -28.03 50.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.143 -0.348 . . . . 0.0 110.544 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.12 -178.83 42.72 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 117.921 0.328 . . . . 0.0 113.897 169.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 152.16 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.367 1.067 . . . . 0.0 110.985 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -142.62 60.99 1.43 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.576 1.15 . . . . 0.0 110.192 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -121.67 5.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.15 -17.0 53.68 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.201 0.6 . . . . 0.0 111.673 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.99 154.14 18.31 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 171.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -133.5 140.96 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.397 1.879 . . . . 0.0 108.895 -169.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -107.92 104.58 14.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.933 0.893 . . . . 0.0 110.22 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.4 mt -113.06 133.54 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.907 1.283 . . . . 0.0 109.909 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.99 141.85 16.01 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 123.899 0.761 . . . . 0.0 112.018 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.05 138.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.464 1.506 . . . . 0.0 108.432 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -127.01 75.05 1.55 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.408 1.083 . . . . 0.0 109.186 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.87 153.84 42.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.123 1.369 . . . . 0.0 110.667 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.39 155.96 55.05 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.455 2.103 . . . . 0.0 110.6 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.14 -1.31 7.45 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.9 -31.05 71.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.937 0.895 . . . . 0.0 111.245 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.4 144.01 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.844 0.83 . . . . 0.0 111.4 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.53 143.06 27.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.727 0.811 . . . . 0.0 110.704 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.71 130.71 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.582 0.353 . . . . 0.0 110.085 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.9 163.91 35.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.853 0.861 . . . . 0.0 110.87 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 162.95 21.86 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.537 171.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.47 -36.72 84.71 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 119.292 0.951 . . . . 0.0 111.817 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -64.97 -10.14 27.01 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.724 1.21 . . . . 0.0 113.804 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.5 -9.01 8.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 124.704 1.202 . . . . 0.0 111.149 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.45 -0.432 0 O-C-N 120.328 -1.483 . . . . 0.0 110.664 175.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.463 -0.303 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.92 120.11 40.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 168.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.04 140.42 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.797 -166.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -135.69 144.49 45.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.561 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -102.25 130.77 49.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -139.08 124.7 19.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.025 0.53 . . . . 0.0 110.985 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -80.68 151.08 29.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.298 172.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 21.1 m -55.53 129.28 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.164 0.507 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.31 60.12 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 124.0 0.809 . . . . 0.0 114.885 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -91.75 160.77 15.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.894 1.347 . . . . 0.0 111.218 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.75 161.11 29.74 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -169.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -143.88 158.64 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.65 1.98 . . . . 0.0 108.972 -171.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -141.02 144.46 35.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.755 0.822 . . . . 0.0 111.927 -170.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -134.78 129.03 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.487 1.115 . . . . 0.0 109.66 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -135.74 51.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -125.28 5.06 7.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.878 0.871 . . . . 0.0 112.753 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -115.14 -22.66 9.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.74 136.54 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 119.009 0.822 . . . . 0.0 111.393 -169.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -132.18 149.19 52.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.874 1.27 . . . . 0.0 109.889 171.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -130.5 145.27 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 126.129 1.771 . . . . 0.0 108.325 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -138.57 134.44 33.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.837 0.455 . . . . 0.0 110.468 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.79 97.53 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.83 -34.26 76.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.55 -0.719 . . . . 0.0 111.253 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 165.98 -176.55 41.34 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 122.156 -0.068 . . . . 0.0 113.22 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.89 153.6 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.004 0.522 . . . . 0.0 110.615 173.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -135.9 76.44 1.61 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 108.945 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -117.77 4.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.48 9.48 43.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.015 0.526 . . . . 0.0 110.832 173.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.0 158.7 15.47 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.247 1.019 . . . . 0.0 110.523 169.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.26 119.85 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.988 1.315 . . . . 0.0 109.062 -168.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.48 124.0 38.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.699 1.2 . . . . 0.0 109.52 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.6 132.9 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.794 0.838 . . . . 0.0 110.421 -169.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.38 139.94 14.74 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.3 mt -123.5 132.46 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.932 0.893 . . . . 0.0 109.51 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -133.0 75.03 1.6 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.358 -168.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.01 157.44 50.56 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -59.82 158.4 29.06 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.086 1.857 . . . . 0.0 111.36 169.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -72.1 -0.85 12.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.496 0.718 . . . . 0.0 112.61 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.99 -23.25 66.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.96 1.304 . . . . 0.0 112.035 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.6 144.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.225 1.01 . . . . 0.0 110.458 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.81 142.3 29.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.772 0.796 . . . . 0.0 111.686 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.28 96.55 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.257 -166.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.04 159.31 42.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.26 0.552 . . . . 0.0 111.686 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.6 ptt-85 -68.98 158.08 35.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.948 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -55.3 -41.78 72.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.46 0.704 . . . . 0.0 112.377 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.28 -17.33 62.39 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -94.13 -50.37 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.238 1.015 . . . . 0.0 110.511 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -50.52 -36.9 36.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.917 1.287 . . . . 0.0 112.049 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -69.83 -21.99 63.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -79.51 -41.46 27.33 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.288 0.949 . . . . 0.0 110.01 169.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' NE2' ' B' ' 52' ' ' GLN . 94.3 mt -62.5 -39.72 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.518 ' NE2' HG22 ' B' ' 51' ' ' ILE . 29.1 mm-40 -81.49 5.13 18.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.28 -17.31 46.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.489 0.716 . . . . 0.0 111.869 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.54 45.76 0.1 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-O 119.644 -0.531 . . . . 0.0 114.011 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.07 -177.41 2.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.851 0.826 . . . . 0.0 112.679 -168.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -131.53 -167.35 1.85 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.176 1.391 . . . . 0.0 108.779 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.36 134.76 24.44 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 118.308 0.504 . . . . 0.0 111.162 -170.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -45.73 162.87 0.1 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 1 C-N-CA 125.55 4.167 . . . . 0.0 115.921 -178.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 125.423 1.489 . . . . 0.0 113.501 170.149 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.63 105.43 13.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 166.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.51 134.09 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.602 0.761 . . . . 0.0 109.631 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.8 mt -129.83 134.94 47.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.144 0.978 . . . . 0.0 109.347 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -90.94 148.81 22.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.452 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.2 ttp180 -146.05 141.51 27.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.012 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -94.29 147.61 23.03 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.25 134.4 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-N 119.207 0.912 . . . . 0.0 111.896 -172.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -8.6 73.8 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.958 1.266 . . . . 0.0 114.763 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -89.16 -176.91 5.28 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.491 1.646 . . . . 0.0 112.441 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -143.36 160.72 40.02 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.452 HG13 ' HD3' ' C' ' 6' ' ' ARG . 66.4 mt -137.57 157.77 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.452 2.301 . . . . 0.0 108.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -125.44 147.13 49.32 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.573 1.149 . . . . 0.0 111.428 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.14 136.64 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.648 1.179 . . . . 0.0 108.902 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.13 -138.77 44.86 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.589 -0.605 . . . . 0.0 111.589 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.54 7.41 11.8 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.109 0.963 . . . . 0.0 111.408 169.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -128.57 -13.04 4.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.013 0.925 . . . . 0.0 113.313 -169.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.21 141.23 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.646 0.657 . . . . 0.0 110.836 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -131.59 142.54 49.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.871 1.269 . . . . 0.0 109.079 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -124.75 144.1 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.547 1.139 . . . . 0.0 108.198 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -135.28 141.97 45.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.341 0.657 . . . . 0.0 110.405 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.45 120.39 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.4 -40.24 10.48 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -177.41 43.54 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.894 168.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.97 149.04 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.653 0.781 . . . . 0.0 110.455 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 m -143.76 101.86 3.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.628 1.171 . . . . 0.0 108.727 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.55 24.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -169.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.56 0.18 56.51 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.912 0.885 . . . . 0.0 112.004 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -87.45 152.89 21.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 110.734 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.76 125.35 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 124.356 1.062 . . . . 0.0 108.653 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -84.64 113.52 21.33 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -119.13 134.06 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.969 1.308 . . . . 0.0 109.222 -174.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.29 141.78 15.4 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.052 0.834 . . . . 0.0 112.134 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -129.73 124.28 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 108.86 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -124.67 95.09 4.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.241 0.616 . . . . 0.0 110.174 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.77 157.24 78.38 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.29 1.036 . . . . 0.0 110.046 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -63.21 153.35 74.71 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.54 2.16 . . . . 0.0 111.162 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.73 -0.91 2.38 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.377 0.671 . . . . 0.0 112.641 171.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.86 -22.14 66.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.369 1.068 . . . . 0.0 111.249 169.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -125.27 147.36 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.195 0.998 . . . . 0.0 110.464 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.04 156.36 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.573 0.349 . . . . 0.0 111.144 174.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.25 132.79 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 169.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -153.68 164.62 37.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.151 0.581 . . . . 0.0 111.728 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 60.3 mtm-85 -78.98 155.73 28.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 166.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.54 -34.9 71.51 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.825 0.739 . . . . 0.0 111.539 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.98 -26.29 66.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.31 1.044 . . . . 0.0 113.491 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.9 mm -91.91 -37.1 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.929 0.892 . . . . 0.0 110.396 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.09 -35.09 59.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.972 1.309 . . . . 0.0 112.47 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.54 -29.2 67.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.13 -38.22 81.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.74 0.816 . . . . 0.0 111.829 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.471 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.44 113.38 25.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.019 1.728 . . . . 0.0 109.042 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -104.58 138.92 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.244 1.418 . . . . 0.0 109.215 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -131.85 166.66 21.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.951 1.3 . . . . 0.0 111.37 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.76 109.95 15.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 0.0 108.803 168.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -113.94 131.46 56.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.197 0.999 . . . . 0.0 109.701 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -77.73 157.57 30.02 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.969 0.804 . . . . 0.0 110.043 168.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -57.47 136.16 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.581 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.31 85.04 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.29 0.948 . . . . 0.0 114.127 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -96.51 176.32 6.07 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.989 1.395 . . . . 0.0 111.891 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -133.84 160.01 38.93 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -168.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -143.18 160.96 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 127.848 2.459 . . . . 0.0 108.565 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -139.76 153.02 47.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.076 0.95 . . . . 0.0 112.463 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.4 140.19 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.903 1.281 . . . . 0.0 109.127 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -136.84 50.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -124.51 9.97 8.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.115 0.966 . . . . 0.0 111.638 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.35 -10.83 2.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.76 137.93 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.78 0.718 . . . . 0.0 110.587 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -123.71 148.45 46.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.508 1.123 . . . . 0.0 109.787 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.52 141.35 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 125.402 1.481 . . . . 0.0 107.906 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -135.84 135.32 39.71 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.085 0.554 . . . . 0.0 109.664 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.24 102.34 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.12 -29.32 54.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.444 0.698 . . . . 0.0 110.899 -169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -170.54 38.78 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 122.842 0.258 . . . . 0.0 112.669 170.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.48 159.06 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.343 0.657 . . . . 0.0 110.886 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -143.54 73.37 1.39 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.015 0.926 . . . . 0.0 108.979 173.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.12 -113.43 3.66 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.83 -7.85 51.18 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.862 0.865 . . . . 0.0 110.199 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.69 157.51 25.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.129 0.966 . . . . 0.0 112.672 170.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 t -130.86 124.14 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 126.529 1.932 . . . . 0.0 106.841 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -92.63 115.58 28.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.61 127.77 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.177 0.591 . . . . 0.0 110.392 -168.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 135.05 12.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.38 138.44 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -138.08 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.057 0.543 . . . . 0.0 109.973 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.71 157.88 53.3 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.326 1.05 . . . . 0.0 110.007 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.7 151.62 84.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.185 1.923 . . . . 0.0 110.671 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.82 -1.62 7.6 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 175.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.09 -22.69 66.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.848 1.259 . . . . 0.0 111.621 168.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.51 160.02 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.191 0.996 . . . . 0.0 110.965 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.66 157.01 16.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.374 0.669 . . . . 0.0 112.616 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.28 121.98 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 122.949 0.5 . . . . 0.0 110.364 167.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -150.1 160.02 43.97 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.787 0.835 . . . . 0.0 111.501 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -63.82 159.45 19.49 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.656 169.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.56 -31.18 71.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.327 0.651 . . . . 0.0 111.64 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.35 -43.07 88.18 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 124.134 0.973 . . . . 0.0 111.945 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -86.25 -36.75 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.697 1.199 . . . . 0.0 110.422 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -52.3 -42.91 64.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.966 0.906 . . . . 0.0 110.885 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.23 -25.71 67.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -73.58 -42.33 61.73 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 118.964 0.802 . . . . 0.0 110.433 171.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.442 -178.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mm -108.11 140.99 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.345 1.058 . . . . 0.0 110.019 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 44.7 mt -138.63 162.55 34.32 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.071 1.349 . . . . 0.0 111.302 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.98 106.2 6.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 166.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -118.79 141.71 48.38 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.918 1.287 . . . . 0.0 110.221 -173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -100.43 168.82 9.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -59.02 136.11 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.396 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.88 -6.88 81.82 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.213 0.911 . . . . 0.0 114.302 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -91.08 168.1 11.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.743 1.272 . . . . 0.0 111.477 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -135.12 159.94 39.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -143.02 157.56 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.52 1.928 . . . . 0.0 107.913 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.84 149.23 47.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.94 141.39 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.847 1.259 . . . . 0.0 108.899 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -133.89 52.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -173.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -126.49 4.87 6.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.906 0.882 . . . . 0.0 111.501 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -133.82 -4.41 2.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.917 0.887 . . . . 0.0 113.381 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.34 136.42 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.764 0.711 . . . . 0.0 110.739 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -128.78 141.79 51.2 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.463 1.105 . . . . 0.0 109.9 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -121.81 140.08 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 125.298 1.439 . . . . 0.0 108.183 176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -137.06 126.2 24.56 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.021 0.529 . . . . 0.0 110.021 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.28 112.26 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 169.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.48 -33.54 48.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.491 0.317 . . . . 0.0 110.543 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 -175.39 36.51 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.101 0.382 . . . . 0.0 113.568 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.64 155.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 C-N-CA 123.488 0.715 . . . . 0.0 112.39 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -145.64 89.97 1.96 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.436 1.494 . . . . 0.0 109.212 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.41 -114.58 4.74 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.656 -0.653 . . . . 0.0 111.927 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -87.98 -18.61 28.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.718 0.759 . . . . 0.0 111.18 171.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.93 150.93 30.37 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.03 0.919 . . . . 0.0 111.041 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -144.46 110.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -86.39 124.61 32.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.42 133.06 57.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.048 0.539 . . . . 0.0 110.851 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.96 143.93 16.97 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.381 0.991 . . . . 0.0 111.918 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.95 124.81 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.257 1.423 . . . . 0.0 108.846 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -125.5 100.22 6.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.163 0.585 . . . . 0.0 109.742 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.25 155.66 72.27 Favored Pre-proline 0 N--CA 1.452 -0.36 0 C-N-CA 124.428 1.091 . . . . 0.0 110.495 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.64 158.88 34.88 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.708 2.272 . . . . 0.0 111.902 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -69.05 -0.77 6.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.41 0.684 . . . . 0.0 112.591 169.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -22.88 67.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.957 1.303 . . . . 0.0 111.562 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.86 156.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.178 0.991 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.0 157.3 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.764 0.426 . . . . 0.0 111.729 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.95 125.0 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.249 169.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -150.56 167.0 28.53 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.128 0.971 . . . . 0.0 110.865 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' F' ' 12' ' ' ILE . 49.8 ttt180 -66.51 154.52 40.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -58.24 -24.63 59.94 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.84 0.456 . . . . 0.0 111.708 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.99 -48.51 73.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.611 1.164 . . . . 0.0 111.795 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.49 -32.06 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.158 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.5 t80 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 123.452 0.701 . . . . 0.0 112.179 177.456 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.16 148.08 23.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 122.056 -0.402 . . . . 0.0 111.564 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.47 134.58 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.27 162.66 25.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 109.77 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.57 97.03 4.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.529 0.681 . . . . 0.0 109.559 169.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.544 ' HD3' HD11 ' F' ' 12' ' ' ILE . 2.9 ttp180 -104.91 162.11 13.62 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.097 1.359 . . . . 0.0 110.396 -175.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -117.05 172.15 7.46 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -56.37 136.23 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.506 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.06 -4.52 81.35 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.328 0.966 . . . . 0.0 114.777 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . 0.406 ' HB2' ' HE ' ' F' ' 6' ' ' ARG . 76.9 mm-40 -90.04 170.15 10.58 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.906 1.353 . . . . 0.0 112.297 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -137.79 153.92 49.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' F' ' 6' ' ' ARG . 50.4 mm -127.06 154.78 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 126.613 1.965 . . . . 0.0 108.431 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -121.68 148.13 44.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.618 0.767 . . . . 0.0 111.673 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -133.67 144.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.676 1.19 . . . . 0.0 108.943 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.29 -132.17 51.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.43 7.82 7.05 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.626 0.77 . . . . 0.0 111.785 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -139.34 -14.01 1.14 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -101.74 138.12 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.966 0.803 . . . . 0.0 110.291 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -127.21 142.52 51.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.131 0.973 . . . . 0.0 110.321 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -122.47 139.69 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 125.249 1.42 . . . . 0.0 108.321 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.2 m -135.84 137.57 41.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.697 0.799 . . . . 0.0 110.3 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . 0.416 HG22 HH21 ' F' ' 6' ' ' ARG . 2.6 tp -94.58 109.22 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.74 -32.57 52.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.116 -0.365 . . . . 0.0 110.523 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.66 -174.89 37.39 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 122.885 0.279 . . . . 0.0 113.515 169.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -117.85 159.64 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.573 0.749 . . . . 0.0 112.117 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.05 90.09 1.65 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.55 1.14 . . . . 0.0 109.039 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.44 -102.97 1.25 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 121.88 -0.512 . . . . 0.0 111.997 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -99.81 -19.64 16.59 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.475 0.637 . . . . 0.0 112.001 171.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -74.61 145.11 43.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.348 0.594 . . . . 0.0 110.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -137.23 112.73 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -174.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -88.16 125.3 34.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.298 0.639 . . . . 0.0 109.658 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.34 142.25 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.419 1.088 . . . . 0.0 110.122 -168.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.39 140.4 16.31 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 123.962 0.791 . . . . 0.0 111.359 170.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mt -127.72 136.13 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.365 1.066 . . . . 0.0 109.312 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -131.52 107.4 8.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.549 0.74 . . . . 0.0 109.504 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.11 158.09 76.48 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.935 0.894 . . . . 0.0 111.579 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.48 162.35 37.05 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.148 2.565 . . . . 0.0 112.357 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -66.05 -15.85 63.41 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.012 0.925 . . . . 0.0 112.198 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -18.46 65.32 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.889 1.276 . . . . 0.0 112.468 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.01 163.1 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.727 0.811 . . . . 0.0 110.974 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.52 161.94 14.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.506 171.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.09 126.61 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.016 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -155.03 171.58 19.51 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.823 0.849 . . . . 0.0 110.562 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -73.29 161.85 30.03 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 167.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.52 -25.59 68.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.906 -0.496 . . . . 0.0 112.214 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.74 -43.41 80.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -90.91 -29.82 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.419 0.688 . . . . 0.0 110.127 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 123.737 0.815 . . . . 0.0 113.025 177.707 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.082 -0.485 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.52 112.32 24.67 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.51 0.724 . . . . 0.0 109.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.63 135.15 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.828 0.851 . . . . 0.0 109.921 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.8 mt -132.26 156.45 46.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 109.609 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -117.86 100.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.91 138.85 49.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.845 0.858 . . . . 0.0 110.64 -168.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -103.13 157.05 17.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.627 0.371 . . . . 0.0 110.44 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.53 122.94 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.667 0.787 . . . . 0.0 110.894 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.27 -2.29 65.39 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.177 0.894 . . . . 0.0 113.989 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -98.4 165.17 11.97 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.494 1.147 . . . . 0.0 111.415 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -132.94 157.85 44.09 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mm -116.5 160.55 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.654 1.981 . . . . 0.0 108.491 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -131.48 137.82 48.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.528 1.131 . . . . 0.0 109.94 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -130.76 132.21 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.06 0.944 . . . . 0.0 109.225 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -131.98 36.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -122.92 -0.65 8.98 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -131.99 -21.78 2.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mt -100.64 140.38 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 118.774 0.716 . . . . 0.0 110.704 -170.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -131.62 138.19 48.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.448 1.099 . . . . 0.0 109.402 172.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -119.77 139.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.326 1.05 . . . . 0.0 108.227 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.4 m -135.61 131.63 36.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.849 0.75 . . . . 0.0 110.061 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.98 97.26 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.85 -31.89 68.75 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.813 -0.554 . . . . 0.0 110.689 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.62 -177.2 44.56 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 113.795 0.278 . . . . 0.0 113.795 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.22 152.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -137.19 60.98 1.63 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.497 1.119 . . . . 0.0 109.612 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.29 -120.86 5.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.45 -11.85 58.24 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.557 0.743 . . . . 0.0 112.003 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -98.99 150.52 21.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.922 0.868 . . . . 0.0 112.167 171.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -127.31 138.59 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.745 2.018 . . . . 0.0 108.151 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm105 -119.21 107.6 13.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.344 0.592 . . . . 0.0 110.698 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.7 mt -111.99 135.72 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.53 1.532 . . . . 0.0 109.269 -170.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.05 138.45 13.9 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 123.691 0.662 . . . . 0.0 111.558 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -111.75 131.48 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.16 1.384 . . . . 0.0 108.111 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -121.29 74.97 1.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.226 1.01 . . . . 0.0 109.23 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.75 155.2 40.24 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.665 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 154.26 59.94 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.394 2.062 . . . . 0.0 110.473 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -68.87 -4.34 16.0 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -68.7 -25.67 64.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.87 0.868 . . . . 0.0 112.032 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.35 143.96 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.935 0.874 . . . . 0.0 111.9 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.95 27.43 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.329 1.052 . . . . 0.0 110.749 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.98 129.56 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.913 0.485 . . . . 0.0 110.053 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -150.16 158.5 44.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.009 0.524 . . . . 0.0 111.715 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -69.63 160.7 31.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.154 0.582 . . . . 0.0 110.471 169.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.78 -38.78 89.31 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -78.52 1.55 22.04 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.0 -11.22 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.862 1.265 . . . . 0.0 111.034 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.367 0 O-C-N 120.377 -1.452 . . . . 0.0 110.384 172.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.669 -0.205 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.36 120.73 40.6 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.266 1.427 . . . . 0.0 107.228 169.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 64.5 mt -116.28 132.77 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 112.013 -165.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.4 mt -136.37 142.54 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.771 1.228 . . . . 0.0 110.662 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -107.88 128.89 55.02 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.293 0.637 . . . . 0.0 109.747 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -130.58 126.45 36.74 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.85 1.26 . . . . 0.0 110.604 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -75.25 153.05 38.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.631 167.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -57.19 125.75 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.503 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.69 -8.8 58.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 118.885 -0.953 . . . . 0.0 115.242 -173.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -87.71 169.7 11.88 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.318 1.559 . . . . 0.0 111.647 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -141.32 158.14 44.27 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -168.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -133.4 154.68 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 127.148 2.179 . . . . 0.0 108.642 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 144.3 50.87 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.522 1.129 . . . . 0.0 110.846 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -133.44 129.88 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.527 1.131 . . . . 0.0 109.417 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.85 51.59 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -124.6 4.97 8.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.849 0.86 . . . . 0.0 112.632 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.5 -21.79 10.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.51 138.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 118.982 0.81 . . . . 0.0 111.481 -169.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -134.47 149.04 50.68 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.96 1.304 . . . . 0.0 110.029 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mm -129.91 139.48 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.815 1.646 . . . . 0.0 108.449 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -135.91 129.13 31.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.256 0.623 . . . . 0.0 110.322 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.75 109.77 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 169.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.56 -33.08 54.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.022 -0.424 . . . . 0.0 110.816 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.08 178.3 35.85 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 122.563 0.125 . . . . 0.0 112.992 171.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -111.02 152.47 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.134 0.492 . . . . 0.0 110.78 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -133.39 78.14 1.76 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.629 1.172 . . . . 0.0 108.695 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -115.97 4.75 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.09 6.43 44.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 151.32 21.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.206 1.002 . . . . 0.0 110.072 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.11 116.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.55 116.65 23.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.423 1.089 . . . . 0.0 109.514 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.44 131.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.397 1.079 . . . . 0.0 109.851 -169.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.48 139.33 14.48 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.16 131.2 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.849 0.833 . . . . 0.0 109.22 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.17 78.18 1.8 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.6 -167.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.08 157.04 65.2 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 109.287 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -58.72 154.54 42.66 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.724 1.616 . . . . 0.0 109.634 168.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -0.63 11.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.792 0.806 . . . . 0.0 110.908 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -26.19 67.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.267 1.827 . . . . 0.0 111.261 172.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -108.02 144.05 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.369 1.068 . . . . 0.0 109.966 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.11 141.57 29.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 111.374 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.18 97.54 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.322 -166.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.23 161.61 41.67 Favored 'General case' 0 N--CA 1.458 -0.045 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -69.45 161.08 30.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.011 0.924 . . . . 0.0 111.833 170.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.29 -46.37 69.31 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 123.617 0.767 . . . . 0.0 112.727 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.93 -14.83 62.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -93.34 -50.1 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.371 0.669 . . . . 0.0 110.495 170.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -47.49 -42.94 23.96 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 111.218 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.72 -15.3 62.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.794 1.238 . . . . 0.0 114.262 -169.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.548 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.0 mpt_? -89.06 -33.2 17.21 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.257 0.935 . . . . 0.0 112.033 172.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.87 -62.08 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.119 0.967 . . . . 0.0 112.565 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 2.38 2.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.652 -0.655 . . . . 0.0 112.552 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.16 -20.18 60.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.332 0.653 . . . . 0.0 111.991 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.33 31.68 0.06 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.174 -0.792 . . . . 0.0 114.839 169.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -168.48 -172.98 1.82 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.448 1.124 . . . . 0.0 112.656 -167.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -133.96 -167.7 2.0 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.753 1.221 . . . . 0.0 109.569 168.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 126.4 4.48 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.729 0.812 . . . . 0.0 111.438 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.88 147.96 30.84 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.907 3.072 . . . . 0.0 114.01 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t0 . . . . . 0 N--CA 1.455 -0.202 0 C-N-CA 125.216 1.406 . . . . 0.0 112.881 173.031 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.31 106.55 14.46 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 167.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.49 134.71 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.72 0.808 . . . . 0.0 109.23 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -128.7 134.94 48.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.269 0.628 . . . . 0.0 109.497 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -99.43 134.18 42.67 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.164 0.985 . . . . 0.0 110.367 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.497 HH11 HD12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -146.03 160.99 41.11 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.544 167.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -85.09 160.22 20.02 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.49 1.116 . . . . 0.0 109.428 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.72 138.91 19.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 O-C-N 121.708 -0.62 . . . . 0.0 111.63 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.58 83.53 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.673 1.13 . . . . 0.0 114.467 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.69 -175.95 4.82 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.429 1.615 . . . . 0.0 112.922 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.55 151.41 47.29 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 124.561 1.144 . . . . 0.0 113.141 -166.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.82 150.85 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 108.855 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.52 147.55 45.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.543 1.137 . . . . 0.0 111.923 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -132.72 129.38 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.44 1.096 . . . . 0.0 108.706 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.65 -139.55 42.28 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.01 10.01 10.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.077 0.951 . . . . 0.0 111.915 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -116.77 -19.4 9.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.254 1.021 . . . . 0.0 113.026 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.01 139.67 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.798 0.726 . . . . 0.0 111.126 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -129.44 141.85 50.93 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.487 1.115 . . . . 0.0 109.566 172.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.94 135.31 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.925 1.29 . . . . 0.0 108.384 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -122.58 141.73 51.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.875 0.87 . . . . 0.0 110.054 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -101.95 116.16 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.74 -39.33 13.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -177.75 42.24 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.594 -0.336 . . . . 0.0 113.749 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.01 148.58 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.315 0.646 . . . . 0.0 110.906 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -147.26 112.58 5.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.964 1.306 . . . . 0.0 108.114 170.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.47 -142.02 29.56 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.441 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.86 5.27 29.51 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.365 0.666 . . . . 0.0 110.952 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.97 144.78 25.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.934 1.694 . . . . 0.0 110.715 -174.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.14 119.91 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -81.88 115.47 21.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.484 0.584 . . . . 0.0 109.523 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -116.99 127.01 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.272 1.429 . . . . 0.0 109.509 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.35 141.21 17.3 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.074 1.321 . . . . 0.0 111.86 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.61 132.16 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.91 92.04 2.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.334 0.653 . . . . 0.0 109.482 -173.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.22 154.7 80.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.031 0.932 . . . . 0.0 110.033 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.02 151.48 81.3 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.438 2.092 . . . . 0.0 110.895 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.33 -1.06 3.02 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.43 0.692 . . . . 0.0 112.446 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -23.64 66.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.473 1.109 . . . . 0.0 111.426 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.61 147.5 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.081 0.953 . . . . 0.0 110.544 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.07 155.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.187 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.0 130.27 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 169.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -153.94 162.19 41.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.038 0.535 . . . . 0.0 111.691 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -81.42 160.37 24.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 166.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.89 -36.3 76.66 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -168.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.36 -21.27 62.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -93.99 -36.11 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.406 0.683 . . . . 0.0 110.636 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -51.68 -36.32 46.07 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.153 0.981 . . . . 0.0 112.492 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.93 -30.24 67.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.744 0.818 . . . . 0.0 112.481 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -67.87 -38.06 82.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.542 0.737 . . . . 0.0 111.77 174.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.75 107.28 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.79 140.3 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.383 1.073 . . . . 0.0 108.898 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.77 158.91 38.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 110.858 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 109.87 21.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 165.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -111.4 130.87 55.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.521 0.329 . . . . 0.0 110.6 -177.324 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -77.04 153.35 34.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.283 170.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -57.95 136.54 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -3.82 85.89 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.004 -0.886 . . . . 0.0 114.205 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.47 168.49 12.15 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.951 1.376 . . . . 0.0 111.836 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -126.79 155.59 42.58 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 112.818 -169.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -140.14 161.08 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 126.961 2.104 . . . . 0.0 108.472 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -141.5 151.31 43.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.154 0.981 . . . . 0.0 111.955 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -134.86 138.27 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 109.087 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -135.39 52.02 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -124.45 8.95 8.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.054 0.942 . . . . 0.0 111.807 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.67 -11.27 2.72 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.57 137.23 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 118.736 0.698 . . . . 0.0 110.582 -171.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -121.01 149.25 42.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.56 1.144 . . . . 0.0 109.719 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -132.36 145.55 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.886 1.675 . . . . 0.0 107.498 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -143.54 129.41 19.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.627 -0.671 . . . . 0.0 109.965 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . 0.4 HG22 ' H ' ' D' ' 22' ' ' ILE . 2.2 tp -84.86 96.91 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 173.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.44 -28.52 62.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.97 -0.456 . . . . 0.0 110.82 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.48 40.04 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.106 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -108.03 158.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.833 0.853 . . . . 0.0 110.401 169.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.9 t -145.24 76.72 1.49 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 109.645 171.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.85 -113.36 3.66 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.446 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 8.9 mp0 -99.69 -0.27 40.48 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.473 0.709 . . . . 0.0 110.656 171.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -78.74 160.05 27.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 111.817 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -134.04 124.77 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.62 169.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -84.54 115.35 22.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.051 0.94 . . . . 0.0 108.845 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.497 HD12 HH11 ' C' ' 6' ' ' ARG . 1.8 mt -121.19 119.87 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 O-C-N 123.71 0.631 . . . . 0.0 109.315 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.7 132.12 11.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mt -121.68 135.94 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -138.04 89.86 2.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.232 0.539 . . . . 0.0 109.799 -169.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.36 158.54 61.0 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 124.749 1.22 . . . . 0.0 109.7 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -62.14 151.16 83.59 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.876 1.717 . . . . 0.0 110.205 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -65.16 -0.74 1.81 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.308 0.643 . . . . 0.0 112.459 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.0 -24.82 66.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.066 1.346 . . . . 0.0 111.433 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.79 159.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.546 1.138 . . . . 0.0 110.934 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 157.04 16.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.14 123.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.891 0.477 . . . . 0.0 110.473 168.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -149.62 155.82 40.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.897 0.879 . . . . 0.0 110.965 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -69.36 160.01 32.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.031 -0.418 . . . . 0.0 110.608 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.19 -32.52 71.16 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.61 0.764 . . . . 0.0 112.056 -170.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.67 -43.49 72.48 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 124.488 1.115 . . . . 0.0 112.137 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -88.74 -37.13 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.514 1.126 . . . . 0.0 110.649 -170.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -50.44 -41.3 52.44 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 170.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -67.71 -25.6 65.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -76.42 -35.2 58.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 119.268 0.94 . . . . 0.0 111.164 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -176.596 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.5 0.191 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.26 137.78 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.143 0.977 . . . . 0.0 109.192 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.66 164.16 26.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 110.898 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 105.59 8.0 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 166.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -112.4 128.98 56.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.432 1.493 . . . . 0.0 109.863 -171.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -93.05 165.15 12.99 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.719 1.145 . . . . 0.0 112.575 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -59.79 137.9 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.45 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.53 -3.65 83.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.06 0.838 . . . . 0.0 114.114 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -97.0 172.64 7.72 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.673 1.236 . . . . 0.0 111.341 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -132.72 158.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -169.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.83 157.19 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 127.147 2.179 . . . . 0.0 108.144 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -135.86 149.07 48.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.581 -0.7 . . . . 0.0 112.827 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.45 134.23 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.716 1.206 . . . . 0.0 109.021 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.23 -138.64 48.64 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.39 9.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.946 0.898 . . . . 0.0 112.517 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -126.08 -14.5 6.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.12 135.56 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 119.215 0.916 . . . . 0.0 111.165 -170.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -125.94 143.31 51.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.651 1.181 . . . . 0.0 109.823 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -123.7 141.04 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.194 1.398 . . . . 0.0 108.117 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -136.78 126.09 24.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.925 0.49 . . . . 0.0 109.952 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.82 102.62 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.03 -29.79 63.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.097 -0.377 . . . . 0.0 110.927 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.06 -173.65 34.66 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 123.379 0.514 . . . . 0.0 113.537 170.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.72 159.91 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 124.033 0.933 . . . . 0.0 111.861 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.94 93.77 2.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.528 1.131 . . . . 0.0 109.084 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.45 -112.91 4.97 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.25 -22.33 19.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 117.519 0.659 . . . . 0.0 111.564 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.01 140.36 52.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.341 0.591 . . . . 0.0 109.932 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.23 115.48 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -91.56 122.79 34.45 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.315 0.646 . . . . 0.0 109.539 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.01 131.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.351 0.66 . . . . 0.0 110.717 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.84 140.2 14.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.517 1.056 . . . . 0.0 111.276 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -131.42 125.92 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.715 1.206 . . . . 0.0 108.891 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -126.38 98.99 5.65 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.78 73.87 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.0 110.569 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.58 158.63 40.48 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.016 2.477 . . . . 0.0 112.08 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -72.11 -0.99 13.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 171.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.95 -22.59 66.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.412 1.085 . . . . 0.0 111.484 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.25 157.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.277 1.031 . . . . 0.0 110.435 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.58 160.22 14.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.98 127.98 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.105 0.562 . . . . 0.0 110.406 170.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -151.59 169.05 23.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.662 0.785 . . . . 0.0 111.119 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.0 155.82 39.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.53 -31.06 69.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.204 0.457 . . . . 0.0 111.76 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.76 -41.53 70.56 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.644 1.178 . . . . 0.0 112.229 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -89.89 -34.65 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.424 1.09 . . . . 0.0 109.737 -172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 125.078 1.351 . . . . 0.0 112.987 -179.37 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.178 0.066 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.18 150.0 20.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.18 -0.325 . . . . 0.0 111.442 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.26 130.9 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 169.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.8 mt -127.3 156.36 42.06 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.726 1.21 . . . . 0.0 109.293 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -130.48 98.53 4.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 168.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 162.01 18.51 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 122.83 0.452 . . . . 0.0 110.723 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -106.36 175.27 5.56 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 122.934 0.494 . . . . 0.0 111.318 -172.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.76 137.76 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.02 84.33 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.106 0.86 . . . . 0.0 115.051 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -85.41 170.92 12.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 119.066 1.433 . . . . 0.0 112.293 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -133.0 150.06 52.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.872 0.869 . . . . 0.0 112.078 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -134.62 158.03 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 126.269 1.828 . . . . 0.0 107.746 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -133.57 149.52 51.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.43 0.692 . . . . 0.0 112.241 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.64 140.31 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.637 1.175 . . . . 0.0 109.028 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.57 -134.76 51.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.92 10.15 6.98 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -131.39 -21.21 2.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.91 138.6 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.385 0.993 . . . . 0.0 111.25 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -129.27 143.97 51.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.631 1.172 . . . . 0.0 110.628 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -125.04 129.28 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.3 1.44 . . . . 0.0 108.966 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -127.94 126.78 42.1 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.354 0.662 . . . . 0.0 110.384 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -85.82 111.88 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.38 -34.02 42.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.847 0.459 . . . . 0.0 110.268 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.56 -174.32 36.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.958 0.313 . . . . 0.0 113.465 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.9 160.37 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.738 0.815 . . . . 0.0 112.004 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.34 91.3 1.81 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.426 1.09 . . . . 0.0 109.218 169.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.78 -102.99 1.2 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -99.43 -18.26 17.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.394 0.597 . . . . 0.0 112.212 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.9 144.63 41.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.045 0.538 . . . . 0.0 110.535 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.03 111.19 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.33 120.54 30.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.235 0.614 . . . . 0.0 109.659 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.08 134.53 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.242 1.017 . . . . 0.0 110.146 -169.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.53 144.88 16.04 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.037 0.827 . . . . 0.0 111.369 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 64.0 mt -134.46 125.1 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.839 0.856 . . . . 0.0 109.279 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -118.18 103.88 10.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.066 0.946 . . . . 0.0 108.957 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.89 76.92 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.954 0.902 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.93 160.52 40.85 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.781 2.321 . . . . 0.0 112.263 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -64.74 -11.6 38.12 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.33 -14.48 61.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.804 1.242 . . . . 0.0 112.482 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -126.31 163.82 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.911 0.884 . . . . 0.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.94 162.97 13.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.364 0.666 . . . . 0.0 111.499 171.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.1 119.99 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.401 0.68 . . . . 0.0 110.153 172.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -152.26 173.28 15.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.779 0.832 . . . . 0.0 110.603 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.37 160.88 31.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.12 -22.3 66.88 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.47 -43.5 93.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.421 1.088 . . . . 0.0 111.731 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -87.44 -30.73 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 0.0 112.8 177.186 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 118.964 -0.541 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.99 113.65 25.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.344 0.658 . . . . 0.0 109.919 -174.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -98.74 134.79 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.36 152.5 50.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.75 0.82 . . . . 0.0 109.937 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.5 m -128.05 100.95 6.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.797 0.839 . . . . 0.0 109.536 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -129.12 152.34 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.936 0.494 . . . . 0.0 111.08 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 162.56 13.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.631 0.773 . . . . 0.0 111.475 -177.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 ' HA2' ' A' ' 24' ' ' GLY . 56.0 t -43.3 129.88 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.318 1.047 . . . . 0.0 111.373 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.53 -6.04 70.74 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.294 0.949 . . . . 0.0 113.989 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -93.59 170.83 9.3 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.621 1.21 . . . . 0.0 112.177 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -139.27 154.84 48.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.0 mm -123.06 158.03 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 126.577 1.951 . . . . 0.0 109.715 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -128.04 139.71 52.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.303 1.041 . . . . 0.0 111.217 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -134.42 135.62 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.43 1.092 . . . . 0.0 109.425 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.63 -129.99 25.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.34 -0.6 6.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.0 0.92 . . . . 0.0 112.224 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -137.04 -15.43 1.51 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -169.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.41 137.55 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.394 0.678 . . . . 0.0 110.968 -168.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -138.94 127.84 23.62 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.319 0.647 . . . . 0.0 110.315 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -108.8 145.51 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.413 1.085 . . . . 0.0 108.998 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.7 m -138.4 135.01 34.86 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.208 0.603 . . . . 0.0 110.278 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -86.25 95.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 169.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.01 -26.83 65.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.983 -0.448 . . . . 0.0 110.316 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.45 -167.94 41.03 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 117.764 0.256 . . . . 0.0 113.607 169.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.85 146.1 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.779 0.832 . . . . 0.0 110.605 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 m -136.41 64.4 1.55 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.877 1.271 . . . . 0.0 109.814 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.12 -120.38 7.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.94 -4.33 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.442 0.697 . . . . 0.0 111.921 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -98.96 159.18 15.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.623 0.725 . . . . 0.0 111.69 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.07 133.72 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.227 1.411 . . . . 0.0 108.755 -170.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -102.09 101.84 12.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.666 0.786 . . . . 0.0 109.194 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.84 134.11 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.376 1.07 . . . . 0.0 109.887 -173.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.57 144.61 17.64 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.902 0.763 . . . . 0.0 111.997 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.26 130.7 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.414 1.486 . . . . 0.0 108.536 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -116.97 74.93 0.94 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.687 0.795 . . . . 0.0 109.613 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.82 153.26 39.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.233 0.613 . . . . 0.0 110.994 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.29 155.04 51.56 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.62 2.213 . . . . 0.0 110.247 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -67.87 -4.3 12.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -71.03 -20.22 62.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 112.17 170.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -119.14 144.07 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.946 0.879 . . . . 0.0 111.549 170.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.79 143.06 36.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.774 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.74 126.95 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-N 118.399 0.545 . . . . 0.0 110.404 170.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -153.51 -175.99 5.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.963 0.905 . . . . 0.0 110.458 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 172.59 12.09 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 170.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.92 -36.59 74.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.773 1.229 . . . . 0.0 113.583 -166.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.53 -12.69 58.86 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.57 -28.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.607 1.163 . . . . 0.0 111.235 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.452 -0.338 0 O-C-N 121.546 -0.721 . . . . 0.0 110.847 -177.342 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -114.82 124.77 52.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.1 139.41 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -165.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -134.42 143.56 47.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.024 1.33 . . . . 0.0 110.766 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m -119.39 105.6 11.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -130.91 155.7 46.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.534 0.734 . . . . 0.0 110.34 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -90.69 164.76 14.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.18 131.14 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.238 0.542 . . . . 0.0 110.315 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.21 -5.26 62.98 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.121 -0.822 . . . . 0.0 114.822 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.71 158.89 20.64 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.119 1.46 . . . . 0.0 112.752 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -121.2 146.13 47.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.488 1.115 . . . . 0.0 111.772 -171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.97 152.81 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.877 1.671 . . . . 0.0 108.664 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -137.25 143.14 42.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.574 -0.704 . . . . 0.0 112.732 -169.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.78 132.65 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.468 1.107 . . . . 0.0 109.853 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -139.88 47.88 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.664 0.65 . . . . 0.0 111.513 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.85 0.99 12.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.893 0.877 . . . . 0.0 111.852 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -120.87 -16.57 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.75 0.82 . . . . 0.0 113.184 -169.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.59 135.86 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.716 0.769 . . . . 0.0 110.904 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 147.89 50.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.522 1.129 . . . . 0.0 109.535 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.0 mm -127.92 144.01 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.876 1.671 . . . . 0.0 107.788 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -140.29 128.59 22.53 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -80.44 110.19 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -81.97 -29.36 32.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.977 -0.452 . . . . 0.0 110.912 -177.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -178.94 34.14 Favored Glycine 0 C--N 1.335 0.482 0 CA-C-O 120.9 0.166 . . . . 0.0 112.724 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -108.97 152.38 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.265 0.555 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -135.47 76.27 1.61 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.594 1.158 . . . . 0.0 108.37 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -114.45 4.02 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.413 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -109.87 15.5 22.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.177 0.489 . . . . 0.0 111.337 169.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -98.91 158.26 15.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.462 1.105 . . . . 0.0 109.544 169.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.76 116.58 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -84.45 116.28 23.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.239 1.416 . . . . 0.0 109.206 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -128.54 130.64 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.889 0.876 . . . . 0.0 110.034 -171.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.93 140.13 14.87 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 123.593 0.616 . . . . 0.0 111.85 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.8 mt -123.78 130.59 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.155 0.982 . . . . 0.0 108.896 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -132.53 79.34 1.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.649 -168.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.65 158.49 64.79 Favored Pre-proline 0 N--CA 1.45 -0.45 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.812 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.3 156.47 40.44 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.09 1.86 . . . . 0.0 111.166 169.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -67.63 -0.7 4.17 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.572 0.749 . . . . 0.0 112.3 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.86 -27.55 68.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.372 1.469 . . . . 0.0 111.317 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -109.47 144.15 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.629 1.172 . . . . 0.0 110.11 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 141.41 29.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 170.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t -144.29 97.39 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.856 -167.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.78 163.97 32.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 C-N-CA 123.941 0.896 . . . . 0.0 110.293 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 16.4 ptt180 -66.98 157.6 32.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.111 -0.368 . . . . 0.0 111.78 170.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -53.05 -38.68 62.67 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.751 0.82 . . . . 0.0 112.012 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.22 -52.62 20.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.753 0.821 . . . . 0.0 111.57 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -73.88 -43.9 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.264 1.026 . . . . 0.0 110.864 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -50.79 -37.31 41.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.315 1.046 . . . . 0.0 112.0 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.02 -26.69 66.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.4 mpt_? -79.06 -39.1 34.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.94 0.791 . . . . 0.0 110.326 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.509 HG22 ' NE2' ' B' ' 52' ' ' GLN . 95.1 mt -64.59 -41.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -176.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.509 ' NE2' HG22 ' B' ' 51' ' ' ILE . 33.6 mm-40 -78.89 5.03 12.46 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.39 -18.12 49.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.852 0.461 . . . . 0.0 111.612 169.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.65 46.33 0.09 OUTLIER Glycine 0 C--N 1.338 0.659 0 CA-C-O 119.449 -0.64 . . . . 0.0 114.345 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -176.46 2.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.914 0.857 . . . . 0.0 112.815 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -125.92 178.3 5.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.277 1.431 . . . . 0.0 109.577 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 120.79 1.86 Allowed Pre-proline 0 N--CA 1.454 -0.239 0 C-N-CA 124.35 1.06 . . . . 0.0 111.797 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -56.33 129.48 35.0 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.091 2.527 . . . . 0.0 112.722 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 CA--C 1.529 0.139 0 C-N-CA 126.513 1.925 . . . . 0.0 114.827 172.431 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.15 108.73 19.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 168.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.0 134.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.689 0.795 . . . . 0.0 109.412 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -128.98 135.01 48.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.144 0.978 . . . . 0.0 109.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -93.93 143.8 26.02 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.974 0.51 . . . . 0.0 110.649 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -146.06 124.03 12.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.525 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -76.51 151.81 36.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.85 137.89 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 O-C-N 121.77 -0.581 . . . . 0.0 112.127 -174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.75 -2.97 84.85 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.654 1.121 . . . . 0.0 114.129 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -93.06 174.86 7.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.082 1.441 . . . . 0.0 112.082 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -131.62 161.24 33.16 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mt -141.68 158.56 21.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 128.255 2.622 . . . . 0.0 107.749 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.94 150.55 51.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.238 -0.914 . . . . 0.0 112.243 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -132.21 133.84 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.507 1.123 . . . . 0.0 108.81 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 -140.63 45.09 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.688 0.661 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -116.06 4.27 13.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.751 1.221 . . . . 0.0 111.163 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -125.23 -14.46 6.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -169.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.98 139.36 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 118.873 0.76 . . . . 0.0 111.115 -169.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 50.1 m -122.33 142.79 50.13 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.605 1.162 . . . . 0.0 109.551 171.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 mm -122.97 139.16 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.027 1.331 . . . . 0.0 108.071 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -138.37 133.04 32.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.797 -0.564 . . . . 0.0 110.484 -174.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -90.2 117.46 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.38 -37.86 12.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.097 -0.377 . . . . 0.0 110.198 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.41 -171.8 44.19 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.908 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.76 154.58 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.283 0.633 . . . . 0.0 111.615 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -146.73 110.46 4.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.833 1.253 . . . . 0.0 109.131 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -118.39 8.79 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -98.7 -7.71 27.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.5 ' HG3' ' CG ' ' D' ' 7' ' ' LYS . 7.0 mt-30 -77.08 149.8 35.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.738 0.78 . . . . 0.0 110.924 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' D' ' 30' ' ' VAL . 39.6 t -133.44 115.67 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -78.12 105.01 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -108.76 135.73 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 125.433 1.493 . . . . 0.0 108.932 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.98 137.21 14.05 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.65 1.119 . . . . 0.0 112.119 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.25 113.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.021 1.328 . . . . 0.0 107.887 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -122.26 89.98 3.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.687 -168.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.14 158.82 69.85 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.696 1.198 . . . . 0.0 110.142 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.51 150.96 82.96 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.394 2.063 . . . . 0.0 110.806 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.25 -0.9 1.96 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.662 0.785 . . . . 0.0 112.64 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.88 -22.19 66.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.374 1.069 . . . . 0.0 111.336 169.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.77 145.89 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.181 0.993 . . . . 0.0 110.316 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.69 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.611 0.365 . . . . 0.0 111.157 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -137.11 133.51 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -152.4 168.03 26.78 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.572 0.749 . . . . 0.0 110.555 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 27.2 ptt-85 -88.52 157.16 18.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 166.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -58.3 -35.78 72.35 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.241 0.616 . . . . 0.0 112.555 -168.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.2 -19.9 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.517 1.127 . . . . 0.0 113.497 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.41 -36.5 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.869 0.867 . . . . 0.0 110.815 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -51.59 -35.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.592 1.157 . . . . 0.0 112.686 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.16 -29.89 67.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.706 0.802 . . . . 0.0 112.582 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.58 -37.94 83.34 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.498 0.719 . . . . 0.0 111.735 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.454 -0.267 0 O-C-N 122.075 -0.391 . . . . 0.0 109.992 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -118.28 122.8 43.82 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.856 1.662 . . . . 0.0 108.982 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.61 135.44 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 109.913 -168.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.05 161.29 37.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.046 1.338 . . . . 0.0 111.51 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -105.62 116.98 32.86 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.27 133.73 53.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.564 0.746 . . . . 0.0 109.638 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' HG3' ' C' ' 29' ' ' GLN . 54.0 mttt -86.79 159.18 19.2 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 118.479 0.581 . . . . 0.0 111.356 172.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.35 137.35 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.2 0.524 . . . . 0.0 111.833 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.31 83.74 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.373 0.987 . . . . 0.0 114.109 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -94.69 175.62 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.879 1.34 . . . . 0.0 112.264 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.4 m -132.73 157.38 45.05 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 39.7 mt -137.73 161.56 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.705 2.402 . . . . 0.0 108.892 -177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.45 150.89 45.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.137 0.975 . . . . 0.0 112.419 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -135.85 139.26 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.815 1.246 . . . . 0.0 109.11 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.58 -136.52 51.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -123.61 9.91 9.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.196 0.998 . . . . 0.0 111.68 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.41 -13.23 2.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.72 137.58 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.678 0.672 . . . . 0.0 110.658 -172.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -122.87 149.85 43.66 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.411 1.084 . . . . 0.0 109.945 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -131.57 144.67 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 125.969 1.707 . . . . 0.0 107.701 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.97 130.16 26.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.17 100.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 171.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -75.45 -31.46 60.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.841 0.456 . . . . 0.0 110.712 -171.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.25 -175.73 41.67 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 121.971 -0.156 . . . . 0.0 113.237 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 m -107.9 156.47 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.654 0.781 . . . . 0.0 109.938 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -140.35 75.88 1.53 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.528 0.731 . . . . 0.0 109.372 169.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.41 -113.41 3.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.466 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.3 mp0 -95.55 -3.72 46.0 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.619 0.767 . . . . 0.0 110.395 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.14 155.92 31.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.579 0.704 . . . . 0.0 111.596 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' C' ' 30' ' ' VAL . 41.2 t -129.66 123.39 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.4 1.48 . . . . 0.0 107.124 168.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -94.49 111.3 23.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.1 124.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.529 0.731 . . . . 0.0 110.092 -169.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.29 139.23 14.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 71.4 mt -129.7 136.43 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -138.08 89.92 2.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.898 -0.501 . . . . 0.0 109.753 -171.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.88 155.63 60.28 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 124.501 1.12 . . . . 0.0 109.839 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.17 150.5 86.55 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.066 1.844 . . . . 0.0 110.488 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.87 -1.06 6.34 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.8 -23.31 66.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.831 1.252 . . . . 0.0 111.515 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.02 159.99 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.271 1.029 . . . . 0.0 110.629 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.87 157.06 17.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.069 0.548 . . . . 0.0 112.117 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 125.24 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 O-C-N 121.953 -0.467 . . . . 0.0 110.67 169.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -148.22 165.99 29.27 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . 0.443 ' HE ' ' CD ' ' D' ' 46' ' ' GLU . 72.6 mtm-85 -63.92 154.16 34.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 168.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.45 -26.59 68.02 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.584 -0.697 . . . . 0.0 111.651 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . 0.443 ' CD ' ' HE ' ' D' ' 44' ' ' ARG . 6.3 pt-20 -71.25 -23.76 62.05 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.891 0.876 . . . . 0.0 112.703 172.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -94.88 -35.83 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.903 1.281 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.59 -40.25 65.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.75 0.82 . . . . 0.0 110.884 173.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.38 -20.99 65.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -81.7 -37.76 26.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.973 0.806 . . . . 0.0 111.37 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 71.4 mt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 -177.638 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.345 0.117 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.68 140.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.987 0.915 . . . . 0.0 109.663 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.61 165.02 25.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.457 1.503 . . . . 0.0 111.28 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.5 103.84 6.64 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 167.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -110.46 128.89 55.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.623 1.569 . . . . 0.0 109.584 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.28 166.37 12.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 119.895 1.225 . . . . 0.0 112.383 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.01 139.35 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.381 -169.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.55 85.14 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.144 0.878 . . . . 0.0 114.146 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -96.55 176.5 6.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.637 1.218 . . . . 0.0 111.593 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -135.27 159.81 40.39 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -138.41 156.37 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 126.895 2.078 . . . . 0.0 108.258 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.71 148.51 51.45 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mt -137.11 135.43 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.741 1.217 . . . . 0.0 109.085 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.73 -139.09 47.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.44 10.05 7.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.962 0.905 . . . . 0.0 112.494 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -125.48 -14.2 6.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.85 135.07 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 119.243 0.929 . . . . 0.0 111.048 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -127.32 143.25 51.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.367 1.067 . . . . 0.0 109.938 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -122.55 140.67 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.982 1.313 . . . . 0.0 108.188 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 44.1 m -135.47 125.26 25.52 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.076 0.55 . . . . 0.0 110.08 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -79.85 103.5 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.03 -34.1 68.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.921 -0.487 . . . . 0.0 110.655 -175.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.15 -170.52 37.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.175 0.417 . . . . 0.0 113.655 169.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -122.8 161.41 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.972 0.909 . . . . 0.0 111.797 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.5 91.61 1.84 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.328 1.051 . . . . 0.0 109.306 169.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -103.02 1.34 Allowed Glycine 0 CA--C 1.525 0.665 0 O-C-N 121.835 -0.541 . . . . 0.0 111.784 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.05 -18.84 16.07 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.436 0.618 . . . . 0.0 112.003 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -70.55 145.73 50.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.93 118.84 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -95.88 122.19 38.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.679 0.791 . . . . 0.0 109.55 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.9 126.89 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.491 0.317 . . . . 0.0 110.889 -167.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.81 140.47 15.91 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.399 0.999 . . . . 0.0 111.413 172.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -130.1 122.41 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 124.979 1.312 . . . . 0.0 108.764 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -122.22 99.02 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 109.276 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.55 71.91 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.283 1.033 . . . . 0.0 110.443 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.59 158.67 40.36 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -71.59 -0.93 11.87 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.518 0.727 . . . . 0.0 112.679 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.01 -23.82 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.83 1.252 . . . . 0.0 112.147 169.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.05 160.99 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.827 0.851 . . . . 0.0 111.111 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.49 155.78 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 124.68 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.127 0.571 . . . . 0.0 109.736 168.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -148.67 170.59 17.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.706 0.802 . . . . 0.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -65.25 157.88 27.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.74 -26.94 68.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.098 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -60.03 -45.25 93.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.957 1.303 . . . . 0.0 111.996 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -84.49 -32.29 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.673 0.789 . . . . 0.0 110.226 -173.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.552 1.141 . . . . 0.0 112.767 179.171 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.21 147.44 25.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.288 0.495 . . . . 0.0 111.6 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.18 126.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.28 149.45 32.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 108.801 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.69 97.0 4.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 168.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.0 51.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.737 0.815 . . . . 0.0 111.163 -174.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -94.91 173.61 7.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -171.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -57.91 138.04 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.101 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -7.75 76.99 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.042 -0.866 . . . . 0.0 114.64 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.86 176.04 9.91 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.177 1.489 . . . . 0.0 112.412 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 33.7 m -146.44 155.1 42.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.041 0.936 . . . . 0.0 111.173 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -135.76 155.99 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 126.292 1.837 . . . . 0.0 108.006 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -130.27 151.85 50.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.254 -0.904 . . . . 0.0 112.501 -176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -136.48 140.87 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.741 1.216 . . . . 0.0 109.152 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.13 -139.27 48.87 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -119.51 10.06 11.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.07 0.948 . . . . 0.0 111.797 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.21 -15.33 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.61 137.09 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.22 0.918 . . . . 0.0 110.903 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -128.41 143.68 51.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.438 1.095 . . . . 0.0 110.65 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.36 138.15 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.961 1.705 . . . . 0.0 108.283 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -136.84 132.21 34.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.825 0.85 . . . . 0.0 109.984 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . 0.403 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.3 tp -88.54 110.79 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.9 -28.92 55.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.026 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.26 -168.41 30.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 123.826 0.727 . . . . 0.0 113.08 168.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -122.72 158.42 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 C-N-CA 123.598 0.759 . . . . 0.0 111.964 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -143.84 89.97 2.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.023 1.329 . . . . 0.0 109.084 169.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -105.91 1.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.76 -20.11 19.78 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.259 0.529 . . . . 0.0 111.901 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -74.28 143.79 44.87 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.163 0.585 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.06 111.34 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -87.62 124.33 33.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.3 134.13 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.756 0.822 . . . . 0.0 110.101 -168.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.06 137.92 13.68 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.31 138.62 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 109.61 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -127.4 110.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.245 1.018 . . . . 0.0 108.899 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.09 157.87 77.07 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.807 0.843 . . . . 0.0 111.189 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.8 160.59 40.04 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.744 2.296 . . . . 0.0 112.106 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.55 -14.64 44.46 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.77 -14.86 61.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.533 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -128.1 164.93 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.881 0.872 . . . . 0.0 111.025 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.97 14.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.388 0.675 . . . . 0.0 111.517 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.64 119.3 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.367 0.667 . . . . 0.0 109.929 169.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -152.21 173.58 14.81 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.975 0.91 . . . . 0.0 110.225 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -78.01 161.31 27.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.96 -0.463 . . . . 0.0 110.103 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -62.03 -23.48 66.48 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -170.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.6 -47.21 85.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.988 0.915 . . . . 0.0 111.621 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.27 -28.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.703 0.801 . . . . 0.0 110.155 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 123.836 0.854 . . . . 0.0 112.423 175.159 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 109.73 22.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.929 . . . . 0.0 108.934 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.34 133.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 108.949 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.7 mt -131.57 158.82 39.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.507 1.123 . . . . 0.0 109.688 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -122.2 101.02 7.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -95.96 167.4 11.26 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.042 0.537 . . . . 0.0 110.552 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -129.87 156.61 44.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -50.11 122.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 122.664 0.386 . . . . 0.0 110.933 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.27 60.47 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.698 1.142 . . . . 0.0 114.437 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -93.28 167.66 11.6 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.866 1.333 . . . . 0.0 112.107 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -140.37 158.88 43.34 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -124.33 156.37 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 126.66 1.984 . . . . 0.0 108.136 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -125.19 134.01 52.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.797 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -124.02 132.12 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.37 1.068 . . . . 0.0 109.111 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.29 -128.92 33.97 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -125.08 -2.92 7.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.921 0.888 . . . . 0.0 112.496 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.59 -19.77 1.84 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.1 142.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 118.547 0.612 . . . . 0.0 111.101 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -134.14 143.13 47.76 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.365 1.066 . . . . 0.0 109.826 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -125.71 141.74 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.026 1.33 . . . . 0.0 108.221 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -139.49 137.94 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.576 0.626 . . . . 0.0 110.505 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.65 99.69 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -27.07 60.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.804 -0.56 . . . . 0.0 110.58 -175.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.72 -170.5 42.35 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 118.001 0.364 . . . . 0.0 113.833 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.91 156.28 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.033 0.933 . . . . 0.0 111.478 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -140.94 68.57 1.34 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.704 1.201 . . . . 0.0 109.726 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.7 -117.08 5.62 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -83.83 -3.0 57.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.207 0.603 . . . . 0.0 111.985 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -99.72 160.85 13.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.849 0.833 . . . . 0.0 112.723 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -141.28 128.67 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 126.09 1.756 . . . . 0.0 108.403 -170.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -104.09 102.0 11.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.213 1.005 . . . . 0.0 110.111 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.76 131.7 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.0 109.406 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.96 140.2 15.05 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 123.975 0.798 . . . . 0.0 111.62 170.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -116.41 132.38 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.688 1.595 . . . . 0.0 107.9 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -125.31 74.93 1.42 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.169 0.985 . . . . 0.0 109.404 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.31 154.13 39.17 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.925 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -71.93 154.64 58.16 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.486 2.124 . . . . 0.0 110.251 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -69.48 -2.48 11.34 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.65 -25.39 64.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 111.757 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -116.33 143.97 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.869 0.842 . . . . 0.0 111.778 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 142.98 32.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.056 0.942 . . . . 0.0 110.799 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.34 128.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.539 0.336 . . . . 0.0 110.343 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -151.38 -176.0 5.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.523 1.129 . . . . 0.0 110.031 -169.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -130.18 167.15 18.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.18 -26.89 68.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.64 -27.33 67.71 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 112.627 171.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -113.78 -23.66 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.379 1.472 . . . . 0.0 110.829 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 121.519 -0.738 . . . . 0.0 110.497 -174.267 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.638 -0.22 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.2 122.56 44.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.505 1.522 . . . . 0.0 107.661 168.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -120.09 138.82 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 122.887 0.475 . . . . 0.0 111.504 -166.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -133.5 143.37 48.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.576 1.151 . . . . 0.0 110.191 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.7 m -119.74 104.97 10.7 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -130.12 162.49 28.71 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.435 1.094 . . . . 0.0 110.654 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -94.45 167.26 11.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.09 137.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.19 -1.75 82.93 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.073 -0.848 . . . . 0.0 114.283 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.84 158.5 22.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.034 1.417 . . . . 0.0 112.188 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -125.28 142.64 51.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.412 1.085 . . . . 0.0 111.338 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.0 mt -135.63 153.79 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.321 1.448 . . . . 0.0 109.406 -169.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -138.57 144.56 39.89 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.469 -0.769 . . . . 0.0 112.901 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -135.42 128.35 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 124.345 1.058 . . . . 0.0 109.633 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 -139.32 48.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -121.69 4.97 10.04 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.914 0.886 . . . . 0.0 112.647 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -113.74 -22.77 10.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.49 137.04 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 118.97 0.805 . . . . 0.0 111.351 -169.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -132.47 150.54 52.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.882 1.273 . . . . 0.0 109.795 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -130.01 146.42 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 126.141 1.776 . . . . 0.0 107.978 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -140.17 129.09 23.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.055 -0.403 . . . . 0.0 109.956 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -81.61 104.84 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -30.12 59.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.943 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.76 -178.69 34.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 113.378 0.111 . . . . 0.0 113.378 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.85 150.94 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.184 0.594 . . . . 0.0 110.78 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.1 t -133.94 75.18 1.58 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.459 1.104 . . . . 0.0 108.589 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.31 -114.43 3.95 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.04 7.38 43.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.472 0.709 . . . . 0.0 110.946 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -99.03 156.02 17.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.171 0.988 . . . . 0.0 110.258 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.82 114.49 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.556 1.143 . . . . 0.0 108.977 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.42 122.04 31.47 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.41 1.084 . . . . 0.0 109.641 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.98 130.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.184 0.994 . . . . 0.0 109.945 -169.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 138.87 14.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 169.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -123.26 131.09 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.773 0.797 . . . . 0.0 109.058 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -132.23 79.23 1.85 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.765 -167.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.27 156.92 71.7 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 114.097 -1.411 . . . . 0.0 109.762 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.98 154.25 52.1 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.75 1.633 . . . . 0.0 109.766 168.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.21 -0.88 8.71 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.909 0.884 . . . . 0.0 111.562 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.75 -25.71 67.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.101 1.76 . . . . 0.0 111.102 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 m -108.46 144.16 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.371 1.068 . . . . 0.0 109.937 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.5 141.73 29.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.292 0.568 . . . . 0.0 111.183 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.82 94.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.094 -166.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.42 44.2 Favored 'General case' 0 CA--C 1.523 -0.071 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -65.21 158.31 26.49 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.028 0.531 . . . . 0.0 111.636 169.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -49.49 -45.22 46.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.8 0.84 . . . . 0.0 112.453 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.08 -47.92 53.4 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.011 0.524 . . . . 0.0 110.688 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -73.58 -49.3 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 125.031 1.332 . . . . 0.0 110.245 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -51.26 -37.41 47.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.534 1.134 . . . . 0.0 111.676 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -68.92 -26.18 64.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.58 0.752 . . . . 0.0 112.877 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -76.2 -44.09 39.39 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.041 0.837 . . . . 0.0 109.742 171.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.525 HG22 HE22 ' B' ' 52' ' ' GLN . 97.0 mt -62.2 -38.32 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.235 0.614 . . . . 0.0 109.478 -173.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.525 HE22 HG22 ' B' ' 51' ' ' ILE . 15.8 mm-40 -81.48 0.34 38.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 175.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -76.88 -18.71 58.16 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.23 0.612 . . . . 0.0 111.651 169.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.9 50.61 0.1 Allowed Glycine 0 C--N 1.337 0.635 0 C-N-CA 123.597 0.618 . . . . 0.0 113.547 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.52 -176.78 2.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.515 0.657 . . . . 0.0 112.307 -168.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 52.7 p -130.95 -173.55 3.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.951 1.3 . . . . 0.0 109.518 168.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.55 122.95 3.62 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.799 0.84 . . . . 0.0 111.217 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -52.88 -41.5 70.23 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.994 3.129 . . . . 0.0 113.861 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 123.239 0.616 . . . . 0.0 110.677 -169.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpp . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 110.94 21.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.02 135.18 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.744 0.818 . . . . 0.0 109.846 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.46 134.97 50.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.969 0.908 . . . . 0.0 108.939 168.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -90.37 145.96 24.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.06 123.83 11.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.943 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.8 tptm -75.18 151.55 38.49 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m -58.24 137.91 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.439 -0.788 . . . . 0.0 112.057 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -5.1 84.88 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.932 1.253 . . . . 0.0 114.315 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -88.4 176.51 7.16 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.465 1.633 . . . . 0.0 112.075 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -133.24 160.59 36.84 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -141.28 156.47 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.193 2.197 . . . . 0.0 108.62 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -128.53 148.79 50.78 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.752 1.221 . . . . 0.0 111.929 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.22 138.22 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.897 1.279 . . . . 0.0 109.318 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.7 -136.2 50.05 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.21 10.04 8.04 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.257 1.023 . . . . 0.0 111.454 168.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.55 -16.72 6.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.729 1.211 . . . . 0.0 113.128 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.49 138.1 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.949 0.795 . . . . 0.0 111.411 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 18.5 m -126.09 144.24 50.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.827 1.251 . . . . 0.0 109.513 173.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -124.53 140.55 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.012 1.325 . . . . 0.0 108.471 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -135.06 128.61 32.6 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.685 0.394 . . . . 0.0 110.565 -176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.73 114.81 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.6 mt -88.57 -38.79 14.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.943 -0.473 . . . . 0.0 109.853 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.0 -174.84 43.54 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.335 -0.459 . . . . 0.0 114.215 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.4 151.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.445 0.698 . . . . 0.0 111.68 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -144.63 107.97 4.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 109.082 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -96.5 -7.1 35.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.416 ' HG3' ' HE2' ' D' ' 7' ' ' LYS . 19.9 mt-30 -79.98 155.01 27.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.966 0.889 . . . . 0.0 111.678 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -139.93 115.62 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -79.7 112.26 16.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 mt -117.66 128.03 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.964 1.306 . . . . 0.0 109.893 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.55 143.58 16.8 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.292 0.948 . . . . 0.0 112.403 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -129.98 122.24 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 125.109 1.363 . . . . 0.0 108.521 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -121.55 98.1 5.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.232 0.613 . . . . 0.0 109.981 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.77 157.05 79.25 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.431 1.092 . . . . 0.0 109.821 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -62.82 151.8 82.16 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.377 2.051 . . . . 0.0 110.827 170.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.6 -1.05 4.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 172.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.94 -19.96 66.04 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.804 1.241 . . . . 0.0 111.443 168.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.82 148.78 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.118 0.967 . . . . 0.0 110.74 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.51 156.94 19.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.768 0.427 . . . . 0.0 111.415 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.56 134.96 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.366 0.666 . . . . 0.0 109.324 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -154.64 162.98 40.89 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 123.326 0.65 . . . . 0.0 111.458 -174.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -72.9 154.52 40.54 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 165.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.86 -30.05 71.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.101 0.864 . . . . 0.0 111.669 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.93 -24.82 63.42 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.2 -36.4 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.628 0.771 . . . . 0.0 110.369 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -54.31 -37.82 65.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.414 1.086 . . . . 0.0 112.068 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.62 -22.34 66.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.299 0.64 . . . . 0.0 112.607 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -72.6 -40.76 66.28 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.756 171.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.013 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.468 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.8 ttp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.803 -0.073 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.01 116.36 31.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.585 1.554 . . . . 0.0 108.746 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -103.14 131.08 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.965 1.306 . . . . 0.0 108.845 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 41.2 mt -115.92 172.89 6.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.905 1.282 . . . . 0.0 110.01 172.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -132.23 109.82 10.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.683 169.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -121.81 137.94 54.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.835 1.654 . . . . 0.0 109.167 -169.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' HG3' ' C' ' 29' ' ' GLN . 18.7 ptpt -101.11 163.67 12.17 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 120.454 1.479 . . . . 0.0 113.717 172.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.41 137.28 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.613 -169.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.54 86.94 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.525 1.059 . . . . 0.0 114.121 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -87.99 175.97 7.53 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.87 1.335 . . . . 0.0 111.864 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -136.34 163.27 30.82 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -150.96 159.42 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 127.99 2.516 . . . . 0.0 108.398 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -138.62 153.0 48.6 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.035 0.934 . . . . 0.0 112.635 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -133.66 139.14 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.889 1.275 . . . . 0.0 108.988 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.32 -134.54 52.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.53 9.97 5.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.348 1.059 . . . . 0.0 112.451 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.03 -13.16 5.17 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.21 137.44 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.019 0.827 . . . . 0.0 110.965 -169.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -121.7 145.49 47.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.645 1.178 . . . . 0.0 109.755 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -129.12 139.68 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 108.203 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -137.34 130.75 31.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.755 0.422 . . . . 0.0 110.003 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.97 87.62 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.0 -29.25 69.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.801 -0.562 . . . . 0.0 112.02 -168.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.5 40.04 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 118.168 0.44 . . . . 0.0 113.764 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.18 159.14 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.332 0.653 . . . . 0.0 110.902 169.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -144.83 76.04 1.48 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.874 0.87 . . . . 0.0 109.035 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.33 -116.78 4.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.4 mp0 -91.93 -9.3 43.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.505 172.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.58 157.4 35.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 121.584 0.706 . . . . 0.0 111.706 169.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -134.81 125.08 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 114.196 -1.365 . . . . 0.0 108.462 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -81.47 114.65 20.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 168.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -116.17 122.45 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 123.655 0.782 . . . . 0.0 108.938 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.1 131.15 10.5 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.68 139.99 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.999 0.92 . . . . 0.0 108.812 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.11 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.657 0.783 . . . . 0.0 109.154 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.46 157.81 55.34 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 124.823 1.249 . . . . 0.0 109.64 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.31 151.06 84.68 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.013 1.808 . . . . 0.0 110.513 169.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.39 -1.0 7.23 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.09 -23.17 66.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.744 1.218 . . . . 0.0 111.534 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.12 159.67 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.167 0.987 . . . . 0.0 110.902 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.11 157.08 16.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.485 0.714 . . . . 0.0 112.251 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.84 125.28 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 168.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -148.58 165.37 31.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.332 0.653 . . . . 0.0 111.616 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -65.58 157.93 28.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.107 0.563 . . . . 0.0 110.566 169.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.41 -40.49 96.68 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.37 -0.831 . . . . 0.0 111.7 -176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -70.4 -9.07 55.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.02 -44.76 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.588 1.155 . . . . 0.0 110.799 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -45.36 -37.72 5.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.446 1.898 . . . . 0.0 112.658 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -57.89 -21.03 41.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.857 1.263 . . . . 0.0 113.68 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -50.58 10.74 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 119.053 0.842 . . . . 0.0 110.544 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.508 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 125.232 1.413 . . . . 0.0 111.852 -175.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.84 142.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.323 1.049 . . . . 0.0 110.385 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -139.64 159.8 41.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.373 1.469 . . . . 0.0 110.871 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -127.48 106.2 9.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 165.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.431 ' HD3' HG13 ' E' ' 12' ' ' ILE . 2.8 mtp180 -104.94 162.24 13.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.233 1.813 . . . . 0.0 110.241 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -111.68 171.68 7.35 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 168.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.22 140.27 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.035 0.445 . . . . 0.0 112.136 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.94 -5.89 84.15 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.157 0.884 . . . . 0.0 114.793 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . 0.403 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.0 mm-40 -90.51 170.42 10.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.083 1.442 . . . . 0.0 112.799 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 67.1 m -131.53 151.67 51.38 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.795 0.838 . . . . 0.0 112.366 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.431 HG13 ' HD3' ' E' ' 6' ' ' ARG . 37.8 mt -131.32 151.74 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.876 2.07 . . . . 0.0 107.999 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.44 146.03 47.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.257 0.623 . . . . 0.0 111.152 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -133.18 133.38 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.587 1.155 . . . . 0.0 108.942 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -132.78 52.73 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.96 10.03 5.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.723 0.809 . . . . 0.0 112.65 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -125.11 -13.54 6.76 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.59 133.98 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.107 0.867 . . . . 0.0 110.873 -171.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -124.07 142.34 51.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.379 1.072 . . . . 0.0 109.97 173.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mm -121.88 134.83 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.695 1.198 . . . . 0.0 108.388 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 17.4 m -133.69 130.98 38.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.274 0.63 . . . . 0.0 110.245 -171.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -89.23 114.45 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 O-C-N 121.891 -0.506 . . . . 0.0 109.676 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.66 -32.36 31.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.559 0.344 . . . . 0.0 110.298 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.55 178.9 28.53 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.073 0.368 . . . . 0.0 113.696 168.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.91 153.81 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.57 0.748 . . . . 0.0 112.171 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -143.42 89.9 2.12 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.023 1.329 . . . . 0.0 108.581 169.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.49 -113.65 6.07 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.843 -0.536 . . . . 0.0 111.765 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.02 -21.42 21.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 117.576 0.688 . . . . 0.0 111.828 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -74.52 143.92 44.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 109.821 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.46 116.52 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -89.06 119.22 29.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.27 134.08 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.277 1.031 . . . . 0.0 110.177 -168.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.3 144.77 17.44 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.408 1.004 . . . . 0.0 111.883 171.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.97 123.81 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.009 1.324 . . . . 0.0 108.91 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -123.7 99.1 6.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.022 0.529 . . . . 0.0 109.613 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.0 76.55 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.331 1.052 . . . . 0.0 110.435 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.97 158.67 32.85 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.67 2.247 . . . . 0.0 111.904 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -68.5 -0.88 5.54 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.498 0.719 . . . . 0.0 112.471 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.98 -25.31 67.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.176 1.39 . . . . 0.0 111.761 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.42 156.1 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.117 0.967 . . . . 0.0 110.879 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.73 156.36 19.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.53 171.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.51 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.868 0.467 . . . . 0.0 110.561 169.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -154.52 168.64 26.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.168 0.987 . . . . 0.0 110.876 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -67.51 161.76 24.79 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.951 -0.468 . . . . 0.0 109.753 167.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.0 -40.92 77.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.348 1.059 . . . . 0.0 111.505 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -91.1 -35.99 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.992 0.917 . . . . 0.0 110.181 -173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 125.009 1.323 . . . . 0.0 112.821 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.836 -0.061 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.33 149.82 21.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.713 0.405 . . . . 0.0 111.385 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.47 134.84 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.848 0.859 . . . . 0.0 108.691 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.09 164.98 23.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.366 1.467 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.39 101.08 6.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.429 ' HA ' ' CZ ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -106.16 133.72 50.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.13 1.372 . . . . 0.0 111.14 -176.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -94.89 164.69 12.81 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.319 0.963 . . . . 0.0 113.311 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.36 135.04 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.285 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.96 -6.4 69.42 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.438 1.018 . . . . 0.0 114.113 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -99.94 162.79 12.77 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.953 1.377 . . . . 0.0 111.792 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 44.9 m -128.85 156.21 44.0 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -136.69 159.18 37.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 127.056 2.143 . . . . 0.0 108.131 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.43 148.03 51.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.869 0.868 . . . . 0.0 111.884 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -136.5 139.02 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.452 1.101 . . . . 0.0 109.279 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.35 -138.25 48.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -120.56 10.04 11.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.858 0.863 . . . . 0.0 111.849 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.66 -17.95 1.45 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.53 137.7 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.063 0.847 . . . . 0.0 110.645 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -128.47 141.6 51.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.251 1.021 . . . . 0.0 109.994 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.03 141.76 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.599 1.56 . . . . 0.0 108.156 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 60.3 m -137.51 130.41 30.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.943 0.497 . . . . 0.0 110.31 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.07 109.9 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' F' ' 31' ' ' ARG . 27.4 mt -82.41 -27.94 31.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.535 0.734 . . . . 0.0 111.175 -172.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.93 -173.14 35.19 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.07 0.367 . . . . 0.0 113.468 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.99 157.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.457 0.703 . . . . 0.0 112.394 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -150.04 90.08 1.65 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.15 1.38 . . . . 0.0 109.404 168.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.28 -103.33 1.69 Allowed Glycine 0 CA--C 1.525 0.659 0 O-C-N 121.841 -0.537 . . . . 0.0 111.767 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -99.03 -16.32 18.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 117.903 0.851 . . . . 0.0 110.936 168.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -70.57 143.74 51.47 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.529 0.681 . . . . 0.0 109.499 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 63.1 t -141.1 105.94 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . 0.432 ' HG2' HD12 ' F' ' 23' ' ' LEU . 30.2 ttm180 -84.95 127.11 34.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -133.24 138.45 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.758 0.823 . . . . 0.0 110.117 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.89 138.28 14.77 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.34 144.93 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.255 1.022 . . . . 0.0 109.297 172.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -133.75 108.77 8.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.044 0.938 . . . . 0.0 108.945 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.38 158.46 74.47 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.017 0.927 . . . . 0.0 111.182 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.87 159.67 40.86 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.718 2.279 . . . . 0.0 111.977 172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.08 -17.13 23.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.359 1.063 . . . . 0.0 113.305 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -10.49 59.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.178 1.391 . . . . 0.0 112.271 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -128.74 163.15 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.039 0.935 . . . . 0.0 110.795 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.552 0.741 . . . . 0.0 111.32 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.89 122.32 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.14 0.576 . . . . 0.0 110.722 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -151.29 172.5 15.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.079 0.952 . . . . 0.0 110.651 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.56 154.19 42.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.55 -25.36 67.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.082 0.553 . . . . 0.0 111.899 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -56.56 -46.86 80.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.476 1.11 . . . . 0.0 111.485 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.83 -33.02 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.014 0.925 . . . . 0.0 110.282 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.453 -0.31 0 C-N-CA 124.374 1.069 . . . . 0.0 112.333 176.335 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 110.73 23.02 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.685 0.794 . . . . 0.0 109.454 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.68 135.66 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.575 0.75 . . . . 0.0 109.246 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.83 152.03 51.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.503 1.121 . . . . 0.0 109.635 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -113.48 100.94 8.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 135.14 54.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.561 0.744 . . . . 0.0 110.451 -168.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.58 154.08 18.86 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 24' ' ' GLY . 40.3 t -48.4 125.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.148 0.579 . . . . 0.0 111.005 -177.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.98 -2.87 61.96 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 114.36 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -100.44 170.2 8.57 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.825 1.312 . . . . 0.0 111.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -136.21 150.4 48.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.4 mm -109.06 154.11 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 125.571 1.548 . . . . 0.0 109.53 169.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -126.18 137.2 53.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.641 1.176 . . . . 0.0 109.967 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mt -131.64 131.26 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.861 0.864 . . . . 0.0 109.648 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.35 -126.42 28.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -129.99 -0.82 4.7 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.128 0.971 . . . . 0.0 111.922 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -137.98 -9.16 1.57 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -168.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -113.9 142.27 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.831 0.852 . . . . 0.0 110.443 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m -140.84 150.42 43.26 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.967 0.907 . . . . 0.0 109.168 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -132.48 143.21 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.733 1.213 . . . . 0.0 108.371 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 m -137.97 132.85 32.93 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.636 0.653 . . . . 0.0 110.823 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.4 tp -84.2 96.62 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 169.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.85 -28.9 66.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 122.016 -0.428 . . . . 0.0 110.404 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.08 -167.97 41.0 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.309 0.481 . . . . 0.0 113.382 170.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.64 148.42 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.628 0.771 . . . . 0.0 111.133 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -140.72 61.08 1.51 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.819 1.247 . . . . 0.0 110.216 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.43 -122.05 6.3 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -76.27 -10.52 59.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.224 0.609 . . . . 0.0 111.441 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -98.96 158.1 15.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.52 0.676 . . . . 0.0 111.771 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -139.81 135.99 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.536 1.534 . . . . 0.0 109.188 -169.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.1 101.91 10.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.987 0.915 . . . . 0.0 109.558 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -121.02 136.3 58.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.087 0 C-N-CA 123.729 0.812 . . . . 0.0 111.116 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.39 146.4 18.17 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.584 1.088 . . . . 0.0 112.206 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -112.93 137.98 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.801 1.64 . . . . 0.0 108.427 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -124.04 74.99 1.33 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.721 1.208 . . . . 0.0 109.416 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.51 154.18 45.59 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.69 174.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.67 157.9 43.82 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.64 2.227 . . . . 0.0 110.741 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -68.67 -1.59 7.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.99 -30.95 71.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.792 0.837 . . . . 0.0 111.495 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.98 143.87 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.845 0.831 . . . . 0.0 111.513 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 141.98 28.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.926 0.89 . . . . 0.0 110.563 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 m -133.61 123.83 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.73 0.412 . . . . 0.0 109.982 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -152.21 159.34 43.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.791 0.436 . . . . 0.0 111.429 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' B' ' 12' ' ' ILE . 3.3 ptm85 -79.64 152.65 29.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.525 0.73 . . . . 0.0 112.295 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.23 -39.18 91.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.36 0.93 15.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.03 -26.03 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 125.12 1.368 . . . . 0.0 111.175 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.453 -0.282 0 O-C-N 121.501 -0.75 . . . . 0.0 110.43 178.21 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 tpp . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.97 119.86 39.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 168.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.0 mt -119.19 142.72 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.78 0.432 . . . . 0.0 111.994 -166.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.47 149.51 52.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.598 1.159 . . . . 0.0 110.468 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.1 m -112.09 103.72 11.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 169.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -110.26 173.0 6.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.741 0.817 . . . . 0.0 109.933 -171.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -118.76 163.32 17.04 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.598 0.359 . . . . 0.0 111.754 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.21 125.13 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.567 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.29 -6.25 55.85 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.84 -0.978 . . . . 0.0 115.211 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.27 155.48 36.65 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 119.548 1.674 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -131.25 146.58 52.37 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.309 1.044 . . . . 0.0 111.324 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.4 mm -135.27 154.26 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 126.563 1.945 . . . . 0.0 109.137 -173.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -127.87 144.85 51.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.446 1.099 . . . . 0.0 110.997 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.37 129.35 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.501 1.121 . . . . 0.0 109.357 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -134.34 52.46 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.01 5.07 6.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.772 0.829 . . . . 0.0 112.835 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -115.23 -20.09 10.52 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.25 137.25 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 119.024 0.829 . . . . 0.0 111.286 -169.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -133.33 149.45 51.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.864 1.265 . . . . 0.0 109.932 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.16 144.49 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.273 1.829 . . . . 0.0 108.001 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -141.04 134.06 29.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.906 0.482 . . . . 0.0 110.516 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.75 116.76 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 169.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -84.29 -32.96 24.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.081 -0.387 . . . . 0.0 111.037 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.3 35.79 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 122.58 0.134 . . . . 0.0 112.91 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -109.97 148.81 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.195 0.521 . . . . 0.0 110.74 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -130.29 73.28 1.52 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.936 1.294 . . . . 0.0 108.582 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.67 -113.15 3.67 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.472 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.44 13.73 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.249 0.547 . . . . 0.0 111.678 170.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -99.0 156.09 17.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.308 1.043 . . . . 0.0 109.199 168.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -137.79 118.95 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.08 118.32 27.57 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.487 1.115 . . . . 0.0 109.712 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.09 136.45 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.559 1.143 . . . . 0.0 109.877 -169.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.28 141.22 15.18 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 123.758 0.694 . . . . 0.0 111.859 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -124.17 132.98 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 109.447 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 75.92 1.65 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.807 -168.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.01 158.14 53.29 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.525 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.79 155.67 47.66 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.761 1.641 . . . . 0.0 109.877 168.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -0.83 8.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 122.043 0.925 . . . . 0.0 112.094 173.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.83 -22.99 66.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.991 1.716 . . . . 0.0 110.897 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.32 144.09 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.64 1.176 . . . . 0.0 109.753 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.01 140.96 29.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.342 0.592 . . . . 0.0 111.253 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 t -142.51 98.36 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.254 -166.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 158.63 44.29 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.793 0.437 . . . . 0.0 111.978 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 33.0 ptt-85 -64.66 157.57 26.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.23 0.612 . . . . 0.0 111.434 169.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -55.67 -40.92 72.93 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.224 0.61 . . . . 0.0 112.633 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.77 -19.57 65.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -89.96 -49.44 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.325 0.65 . . . . 0.0 110.51 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.51 -42.01 22.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.618 0.767 . . . . 0.0 111.024 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.33 -10.18 56.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -91.97 -28.81 16.99 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 119.309 0.958 . . . . 0.0 112.49 169.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.81 -62.05 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.696 0.798 . . . . 0.0 112.698 -166.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.59 1.57 1.2 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.09 -19.17 60.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.325 170.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.0 29.07 0.05 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.054 -0.859 . . . . 0.0 115.101 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -168.97 -172.95 1.68 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.524 1.162 . . . . 0.0 112.847 -167.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 22.1 p -130.45 -171.74 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.86 1.264 . . . . 0.0 108.902 167.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.07 125.61 2.06 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 112.042 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.36 -175.31 0.52 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.072 2.514 . . . . 0.0 113.099 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.097 0.959 . . . . 0.0 112.466 171.409 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 107.26 14.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 134.88 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.724 0.81 . . . . 0.0 109.521 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.55 134.97 48.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.022 0.929 . . . . 0.0 109.316 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.5 p -92.47 141.13 28.85 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.202 169.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -136.72 144.24 43.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.998 0.519 . . . . 0.0 110.209 171.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.4 tptm -82.28 156.88 24.08 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 167.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.01 134.12 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 O-C-N 121.582 -0.699 . . . . 0.0 111.527 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.78 81.0 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.543 1.068 . . . . 0.0 114.441 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -89.1 175.3 7.44 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.235 1.517 . . . . 0.0 112.495 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -135.06 157.79 46.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mt -139.75 159.24 27.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 127.814 2.446 . . . . 0.0 107.94 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.83 149.36 52.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.235 1.014 . . . . 0.0 112.298 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.82 141.99 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.639 1.176 . . . . 0.0 109.044 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.24 -136.72 50.72 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.808 0.718 . . . . 0.0 111.739 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -122.83 9.98 9.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.257 1.023 . . . . 0.0 111.274 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -132.25 -10.72 3.29 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.39 136.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 118.698 0.681 . . . . 0.0 110.921 -170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -124.57 138.52 54.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.577 1.151 . . . . 0.0 109.282 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.04 137.96 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.539 1.136 . . . . 0.0 108.384 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -132.23 130.94 41.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.671 0.389 . . . . 0.0 110.505 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -84.38 114.61 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 168.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.539 HD12 ' HG2' ' C' ' 31' ' ' ARG . 6.1 mt -89.02 -34.32 16.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -174.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.64 -179.47 39.95 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 113.668 0.227 . . . . 0.0 113.668 168.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.02 154.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.67 0.788 . . . . 0.0 110.259 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -149.0 104.63 3.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -127.51 26.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.05 -0.38 55.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.995 0.918 . . . . 0.0 112.352 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.04 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.61 0.764 . . . . 0.0 110.664 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -135.15 122.28 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.2 1.0 . . . . 0.0 108.653 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.539 ' HG2' HD12 ' C' ' 23' ' ' LEU . 18.8 ttm180 -81.44 114.47 20.2 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.84 131.78 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.63 1.172 . . . . 0.0 109.612 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.0 137.99 14.23 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.17 0.89 . . . . 0.0 112.41 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.18 113.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.676 1.19 . . . . 0.0 108.766 176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -102.89 93.47 5.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.308 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.87 71.09 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.797 0.839 . . . . 0.0 110.52 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -61.89 153.77 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.926 2.417 . . . . 0.0 111.439 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.07 -0.74 2.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.93 -28.45 68.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.849 0.86 . . . . 0.0 110.92 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -105.62 140.02 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.604 0.762 . . . . 0.0 110.286 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 154.98 21.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -139.7 123.57 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.56 169.46 21.47 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.406 HH11 HD22 ' D' ' 4' ' ' LEU . 79.1 mtm-85 -72.29 156.09 39.48 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.52 -35.78 74.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.696 0.68 . . . . 0.0 111.44 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.41 -23.82 62.82 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -92.1 -36.12 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.629 0.771 . . . . 0.0 110.393 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.16 -35.81 60.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.991 1.316 . . . . 0.0 112.372 -176.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -58.62 -30.02 66.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.883 0.873 . . . . 0.0 112.243 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.27 -37.44 80.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.621 0.769 . . . . 0.0 111.856 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.41 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.454 -0.254 0 O-C-N 121.941 -0.474 . . . . 0.0 109.827 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -106.29 112.24 25.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.48 1.112 . . . . 0.0 108.741 168.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.466 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -99.97 131.36 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.331 1.052 . . . . 0.0 109.128 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . 0.406 HD22 HH11 ' C' ' 44' ' ' ARG . 29.4 mt -117.99 171.76 7.86 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.564 1.145 . . . . 0.0 110.25 172.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 109.77 10.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.234 169.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -117.4 132.11 56.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.667 1.187 . . . . 0.0 109.362 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -75.77 155.48 35.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.012 0.824 . . . . 0.0 110.819 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.803 HG11 HG12 ' D' ' 25' ' ' VAL . 11.9 m -54.37 137.96 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.507 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.78 86.72 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.535 1.064 . . . . 0.0 114.072 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -94.3 178.98 5.45 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.982 1.391 . . . . 0.0 112.241 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 65.2 m -135.04 158.97 42.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 50.9 mt -143.36 161.5 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.998 2.519 . . . . 0.0 108.368 -173.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -140.31 152.56 45.95 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.865 0.866 . . . . 0.0 112.522 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -135.93 142.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.74 1.216 . . . . 0.0 109.295 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.29 -138.27 49.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -123.39 9.91 9.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.274 1.029 . . . . 0.0 111.286 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.65 -11.29 3.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.927 0.891 . . . . 0.0 113.37 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.66 137.5 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.758 0.708 . . . . 0.0 110.591 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -122.57 149.2 44.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.471 1.108 . . . . 0.0 109.859 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -132.53 140.3 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.463 1.505 . . . . 0.0 107.871 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.56 129.19 26.3 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.54 87.63 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.73 -32.23 73.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.737 -0.602 . . . . 0.0 111.43 -169.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.65 -167.99 40.34 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 120.674 -0.774 . . . . 0.0 114.19 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.803 HG12 HG11 ' D' ' 8' ' ' VAL . 10.2 p -139.57 134.36 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.963 1.305 . . . . 0.0 110.138 -170.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -144.26 100.56 3.56 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.976 0.91 . . . . 0.0 109.448 -171.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.2 -119.35 15.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -100.49 -3.36 30.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.594 0.757 . . . . 0.0 111.286 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -77.35 156.67 31.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.656 0.741 . . . . 0.0 112.026 169.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -136.19 125.06 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 114.381 -1.281 . . . . 0.0 108.376 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -83.14 114.26 21.2 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.114 0.566 . . . . 0.0 109.586 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -118.1 116.63 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.731 0.812 . . . . 0.0 109.389 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.79 135.47 12.87 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.089 0.852 . . . . 0.0 111.048 174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.87 138.82 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.015 0.926 . . . . 0.0 108.733 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.03 90.03 2.45 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.779 -0.576 . . . . 0.0 109.84 -173.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.79 157.92 55.9 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.413 1.085 . . . . 0.0 109.944 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 154.01 72.09 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.41 2.073 . . . . 0.0 110.905 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.53 -0.93 9.47 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.0 -20.91 66.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.337 1.055 . . . . 0.0 111.047 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -128.03 159.93 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.356 1.062 . . . . 0.0 110.862 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.49 157.1 16.67 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.448 0.699 . . . . 0.0 112.084 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.68 126.15 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 O-C-N 122.043 -0.411 . . . . 0.0 110.085 168.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -149.81 165.13 33.41 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.444 0.698 . . . . 0.0 111.824 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -62.51 157.81 19.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.898 0.479 . . . . 0.0 109.987 168.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -58.11 -38.01 75.67 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.748 0.419 . . . . 0.0 111.421 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.84 -19.8 64.27 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.869 0.868 . . . . 0.0 113.275 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mm -98.64 -41.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.424 1.09 . . . . 0.0 111.061 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -47.08 -39.51 13.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.6 1.56 . . . . 0.0 112.392 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -57.87 -21.0 40.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.706 1.202 . . . . 0.0 113.631 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -87.0 -44.35 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.904 0.881 . . . . 0.0 110.564 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.623 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 124.228 1.011 . . . . 0.0 111.242 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.77 138.1 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.142 0.977 . . . . 0.0 109.742 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -132.39 164.32 26.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.613 1.565 . . . . 0.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -137.54 99.17 3.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 168.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -114.6 143.38 45.1 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.584 1.154 . . . . 0.0 112.616 -168.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -83.2 159.51 21.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.231 0.613 . . . . 0.0 111.48 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -59.95 136.31 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.365 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.35 85.14 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.289 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.31 165.36 14.45 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 119.034 1.417 . . . . 0.0 111.786 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -131.94 157.4 44.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.547 0.689 . . . . 0.0 112.352 -169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 35.2 mt -141.88 157.61 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 126.062 1.745 . . . . 0.0 108.113 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.88 148.76 44.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -137.51 139.31 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.915 1.286 . . . . 0.0 109.186 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.26 -134.79 48.37 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.33 9.95 6.73 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.032 0.933 . . . . 0.0 111.727 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.66 -5.59 1.97 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -170.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.84 135.76 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 118.908 0.776 . . . . 0.0 110.778 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -129.08 143.22 50.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.146 . . . . 0.0 109.971 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -123.02 142.15 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.53 1.532 . . . . 0.0 107.991 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -138.96 128.58 24.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.782 0.433 . . . . 0.0 110.216 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -76.74 112.5 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.3 -34.54 48.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.545 0.338 . . . . 0.0 110.357 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.55 -177.5 35.16 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.257 0.456 . . . . 0.0 113.199 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.55 157.83 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.372 0.669 . . . . 0.0 112.256 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.02 95.46 2.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.602 1.161 . . . . 0.0 109.078 169.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.75 -117.8 8.46 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.43 -21.05 22.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.35 0.575 . . . . 0.0 111.558 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.63 142.29 42.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.673 0.749 . . . . 0.0 110.75 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.84 115.25 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -172.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -87.98 122.25 31.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -129.45 130.69 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.871 0.869 . . . . 0.0 110.448 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 143.34 16.63 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.354 0.978 . . . . 0.0 111.83 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.6 mt -134.03 128.32 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.192 1.397 . . . . 0.0 108.834 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.9 100.8 5.81 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 155.3 74.7 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.493 1.117 . . . . 0.0 110.548 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.99 157.12 45.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.838 2.358 . . . . 0.0 112.031 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.98 -0.9 10.35 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.03 -23.46 66.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.53 1.132 . . . . 0.0 111.848 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -120.78 158.32 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.069 0.948 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 158.05 15.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.072 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.0 125.9 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.928 0.491 . . . . 0.0 110.201 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -150.45 168.55 23.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.379 1.072 . . . . 0.0 110.125 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -75.78 161.81 28.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.498 0.59 . . . . 0.0 109.581 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -61.59 -21.66 64.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.051 0.54 . . . . 0.0 112.195 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.53 -45.87 74.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.233 1.013 . . . . 0.0 111.455 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -29.67 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.636 0.775 . . . . 0.0 110.014 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 O-C-N 121.926 -0.484 . . . . 0.0 111.983 176.094 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.942 -0.075 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.57 150.02 20.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.093 -0.38 . . . . 0.0 111.511 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.84 134.27 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -126.56 163.22 23.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.079 . . . . 0.0 109.72 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.61 97.6 5.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 109.701 169.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.89 132.39 51.19 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.612 1.565 . . . . 0.0 109.404 -171.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -97.15 165.39 12.08 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 119.677 1.126 . . . . 0.0 112.927 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -56.09 136.2 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.504 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.1 80.35 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.314 0.959 . . . . 0.0 114.165 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -94.0 167.65 11.46 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.613 1.207 . . . . 0.0 111.697 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -131.6 157.19 44.3 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -169.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 47.8 mt -139.13 156.53 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.323 1.849 . . . . 0.0 108.256 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -128.64 149.29 50.72 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.614 0.766 . . . . 0.0 112.261 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -135.44 144.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.781 1.233 . . . . 0.0 109.045 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.51 -132.1 51.49 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -129.13 9.95 5.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.431 0.692 . . . . 0.0 111.837 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -136.22 -10.66 1.96 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -170.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.66 137.66 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.609 0.64 . . . . 0.0 110.345 -174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -125.98 141.45 51.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 110.004 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.1 140.01 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.357 1.463 . . . . 0.0 108.405 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -133.75 129.42 36.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.402 0.681 . . . . 0.0 109.912 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.89 108.45 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.67 -28.45 36.78 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.134 0.573 . . . . 0.0 111.129 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -176.31 32.81 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 123.53 0.586 . . . . 0.0 112.92 169.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.37 154.04 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.162 0.585 . . . . 0.0 111.816 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -147.24 90.0 1.84 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.816 1.246 . . . . 0.0 108.707 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.03 -126.39 34.0 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -79.43 -16.72 55.67 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.05 141.92 30.81 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.583 0.706 . . . . 0.0 110.446 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.6 t -128.73 119.78 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -87.0 126.91 35.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.468 0.707 . . . . 0.0 109.303 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -134.58 142.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 124.037 0.935 . . . . 0.0 110.162 -168.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.08 138.53 13.59 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.101 0.858 . . . . 0.0 111.189 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.4 mt -126.4 137.47 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.212 1.005 . . . . 0.0 109.259 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -133.53 105.59 6.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.576 0.75 . . . . 0.0 109.674 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.4 158.85 74.12 Favored Pre-proline 0 N--CA 1.454 -0.225 0 C-N-CA 124.19 0.996 . . . . 0.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.28 162.21 31.08 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.928 2.419 . . . . 0.0 112.131 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.81 -13.11 29.42 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.126 0.97 . . . . 0.0 112.464 169.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.98 -19.55 66.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.497 1.519 . . . . 0.0 112.309 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -130.67 160.56 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.15 0.98 . . . . 0.0 110.929 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.44 162.89 13.47 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.127 0.571 . . . . 0.0 111.244 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.05 125.91 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.529 0.732 . . . . 0.0 110.26 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -153.65 177.08 11.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.211 1.004 . . . . 0.0 110.244 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -80.85 163.97 23.02 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.731 -0.605 . . . . 0.0 110.178 169.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.49 -29.01 68.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.089 0.556 . . . . 0.0 112.46 -169.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.32 -53.58 56.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.451 0.701 . . . . 0.0 110.966 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -78.29 -31.62 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.361 0.664 . . . . 0.0 109.986 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 . . . . . 0 N--CA 1.453 -0.293 0 C-N-CA 124.258 1.023 . . . . 0.0 112.772 176.481 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.56 109.43 21.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.172 0.589 . . . . 0.0 109.816 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 HG21 ' HD3' ' B' ' 31' ' ' ARG . 2.0 mp -91.0 140.58 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.251 0.621 . . . . 0.0 110.124 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -133.3 147.78 51.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.864 0.866 . . . . 0.0 108.732 167.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -120.18 100.81 7.41 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 6' ' ' ARG . 18.4 mmm180 -125.95 153.66 43.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.297 0.57 . . . . 0.0 110.611 -169.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -105.03 159.82 15.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.415 1.086 . . . . 0.0 110.512 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' HA2' ' A' ' 24' ' ' GLY . 62.1 t -46.2 120.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 110.637 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.39 -4.22 56.81 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.528 1.061 . . . . 0.0 114.582 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -94.4 162.96 13.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 119.035 1.417 . . . . 0.0 112.146 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -132.13 147.77 52.45 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -168.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.7 mm -111.39 157.55 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 125.784 1.634 . . . . 0.0 110.055 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -134.37 140.14 46.11 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.951 0.901 . . . . 0.0 111.108 174.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 mt -140.08 125.29 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.555 1.142 . . . . 0.0 110.749 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.3 -121.64 23.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.869 1.107 . . . . 0.0 115.869 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.03 -3.74 46.68 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -165.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 152.48 5.65 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 128.148 2.579 . . . . 0.0 112.129 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.97 126.42 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 120.889 -1.132 . . . . 0.0 109.01 -172.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -118.93 133.08 56.06 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -112.93 143.92 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -136.14 133.13 36.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.187 0.595 . . . . 0.0 110.003 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.2 100.04 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.418 -1.326 . . . . 0.0 107.418 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -30.74 61.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.81 -0.556 . . . . 0.0 111.293 -169.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.73 -170.38 43.48 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.992 0.36 . . . . 0.0 113.593 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.39 146.94 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.927 0.891 . . . . 0.0 111.051 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 m -141.72 60.94 1.47 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.636 1.174 . . . . 0.0 110.412 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.6 -126.21 7.78 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -76.97 -14.71 59.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.272 0.629 . . . . 0.0 111.672 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -99.76 151.7 20.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.4 t -133.07 139.18 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 127.977 2.511 . . . . 0.0 108.15 -169.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -111.57 103.13 11.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.974 0.91 . . . . 0.0 110.41 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.93 137.97 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.427 1.091 . . . . 0.0 110.396 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.24 142.97 16.07 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.436 1.017 . . . . 0.0 112.014 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.04 136.35 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.669 1.588 . . . . 0.0 108.418 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.9 75.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.357 1.063 . . . . 0.0 109.271 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.14 152.38 39.72 Favored Pre-proline 0 N--CA 1.452 -0.328 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.58 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.99 152.27 68.07 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.404 2.069 . . . . 0.0 110.131 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.5 -4.84 16.45 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.62 -25.63 65.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.96 0.904 . . . . 0.0 112.091 169.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.49 144.1 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.015 0.912 . . . . 0.0 112.076 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.85 143.08 36.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.77 1.228 . . . . 0.0 111.61 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.07 117.38 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 123.451 0.701 . . . . 0.0 109.517 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -150.31 158.49 44.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.7 ptm85 -80.87 152.85 27.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.782 0.833 . . . . 0.0 112.115 174.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.65 -33.34 75.4 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.493 0.717 . . . . 0.0 112.175 -174.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.35 -14.69 57.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.999 0.919 . . . . 0.0 112.977 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -22.75 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 125.222 1.409 . . . . 0.0 111.121 -173.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.452 -0.346 0 O-C-N 121.35 -0.844 . . . . 0.0 110.475 178.503 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.71 119.46 39.19 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.209 1.404 . . . . 0.0 107.449 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -116.51 138.55 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -166.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.12 135.89 47.89 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.632 1.173 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -106.26 110.25 22.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.417 ' HD2' HD11 ' B' ' 12' ' ' ILE . 16.6 mtm-85 -124.96 166.45 16.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.545 1.138 . . . . 0.0 110.691 -169.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -109.64 155.79 21.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.798 0.439 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.415 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.1 m -54.44 126.78 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.292 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.94 -13.45 45.38 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.03 -0.872 . . . . 0.0 115.145 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.88 154.35 38.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 119.395 1.597 . . . . 0.0 112.667 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -125.79 144.6 50.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.357 1.063 . . . . 0.0 111.499 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.417 HD11 ' HD2' ' B' ' 6' ' ' ARG . 46.5 mm -132.85 151.35 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 126.429 1.891 . . . . 0.0 108.86 -174.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -126.16 140.92 52.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.323 1.049 . . . . 0.0 110.663 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -131.71 132.32 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 123.982 0.913 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 -134.19 51.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -123.29 2.27 9.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.603 0.761 . . . . 0.0 112.064 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.75 -16.38 6.69 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.787 0.835 . . . . 0.0 113.202 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.35 136.24 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.74 0.7 . . . . 0.0 110.531 -172.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -130.54 149.34 52.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.481 1.112 . . . . 0.0 109.86 169.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -129.55 145.65 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.363 1.865 . . . . 0.0 107.81 -175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -140.58 130.12 24.08 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.765 0.426 . . . . 0.0 110.328 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.11 114.8 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 168.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.35 -30.14 21.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.042 -0.411 . . . . 0.0 111.133 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 157.2 175.96 28.72 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-O 120.861 0.145 . . . . 0.0 112.874 170.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.11 153.55 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.344 0.592 . . . . 0.0 111.057 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -137.24 74.06 1.47 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.938 1.295 . . . . 0.0 108.506 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 -117.37 4.47 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.426 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.89 16.41 24.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.347 0.594 . . . . 0.0 111.243 169.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -98.92 157.51 16.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.74 1.216 . . . . 0.0 109.345 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -142.44 114.79 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.794 0.437 . . . . 0.0 110.108 -169.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.4 ' HD3' HG21 ' A' ' 3' ' ' ILE . 35.9 ttm180 -84.52 124.7 31.68 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.327 0.512 . . . . 0.0 110.738 174.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.75 130.42 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.282 1.433 . . . . 0.0 109.161 -173.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.39 15.51 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 123.611 0.624 . . . . 0.0 111.608 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.06 132.64 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 124.001 0.92 . . . . 0.0 109.05 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -133.06 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.473 -1.239 . . . . 0.0 109.297 -168.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.46 157.64 53.35 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.564 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.14 157.35 35.17 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.915 1.743 . . . . 0.0 111.311 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -68.41 -0.68 5.2 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.018 0.927 . . . . 0.0 112.199 169.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.91 -25.78 67.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.223 1.409 . . . . 0.0 111.359 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.71 144.13 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.443 1.097 . . . . 0.0 110.263 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.82 141.8 28.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.665 0.745 . . . . 0.0 111.373 169.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -141.88 98.85 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.755 -166.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.92 157.21 43.9 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.075 0.465 . . . . 0.0 111.695 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 22.7 ptt-85 -65.54 157.79 28.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.107 0.563 . . . . 0.0 111.732 171.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -55.62 -41.54 73.64 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 123.207 0.603 . . . . 0.0 112.148 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.67 -3.91 10.51 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.27 -51.27 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.586 1.154 . . . . 0.0 109.846 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -50.6 -36.74 36.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.325 1.45 . . . . 0.0 112.314 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.93 -22.95 64.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -174.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.23 -40.39 27.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 118.737 0.699 . . . . 0.0 110.501 171.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' NE2' ' B' ' 52' ' ' GLN . 96.6 mt -64.82 -39.61 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.486 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.0 mm-40 -80.28 4.94 16.08 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.85 -17.97 45.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.237 0.615 . . . . 0.0 112.093 169.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.14 48.48 0.09 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-O 119.599 -0.556 . . . . 0.0 114.123 169.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.63 -177.36 3.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.68 0.74 . . . . 0.0 112.699 -168.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.479 HG22 ' H ' ' B' ' 57' ' ' ALA . 7.2 m -124.76 174.93 7.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.321 1.448 . . . . 0.0 108.635 168.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.479 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.95 119.41 0.68 Allowed Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 125.227 1.411 . . . . 0.0 111.849 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.9 Cg_exo -67.17 178.88 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.53 2.153 . . . . 0.0 113.949 -169.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 112.73 176.535 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpp . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.86 107.51 15.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 167.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.93 135.61 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.888 0.875 . . . . 0.0 109.846 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -128.23 134.98 49.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.021 0.928 . . . . 0.0 109.231 168.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.1 p -95.3 124.82 39.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.27 0.628 . . . . 0.0 109.836 169.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 13.5 mmm180 -123.81 145.02 49.36 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.811 0.278 . . . . 0.0 110.964 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.2 tptm -80.01 157.4 26.79 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.97 139.73 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 O-C-N 121.168 -0.958 . . . . 0.0 112.042 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.67 -2.6 84.67 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.71 1.148 . . . . 0.0 114.037 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.434 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 64.5 mm-40 -89.67 167.68 12.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.823 1.312 . . . . 0.0 112.689 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -128.15 158.06 39.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.867 0.867 . . . . 0.0 113.169 -170.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt -142.81 161.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 126.893 2.077 . . . . 0.0 108.025 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -134.44 146.56 49.92 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.177 0.991 . . . . 0.0 111.82 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.06 143.73 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.63 1.172 . . . . 0.0 108.934 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.01 -140.41 44.75 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 123.709 0.671 . . . . 0.0 111.66 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.37 8.76 12.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.167 0.987 . . . . 0.0 111.156 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -133.19 -12.55 2.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.27 138.53 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.849 0.749 . . . . 0.0 110.879 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -125.24 142.39 51.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.671 1.189 . . . . 0.0 109.282 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -122.09 145.26 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.655 1.182 . . . . 0.0 108.178 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -137.82 129.65 28.54 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 122.691 0.397 . . . . 0.0 110.121 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.11 115.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 168.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' C' ' 31' ' ' ARG . 7.4 mt -89.53 -35.87 15.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.922 -0.486 . . . . 0.0 109.94 -174.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.65 178.46 40.26 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 113.933 0.333 . . . . 0.0 113.933 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.05 154.4 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.77 0.828 . . . . 0.0 110.268 172.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -151.93 108.35 3.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 169.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -132.31 23.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.04 1.07 57.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.059 0.944 . . . . 0.0 111.946 170.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 151.01 23.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.288 1.035 . . . . 0.0 110.66 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 t -134.01 125.59 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.763 0.825 . . . . 0.0 108.98 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.534 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.6 ttm180 -84.39 114.0 21.58 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -120.31 127.09 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 109.395 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.0 135.72 12.29 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.939 0.78 . . . . 0.0 111.873 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -121.79 127.86 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.385 1.074 . . . . 0.0 108.568 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -129.07 89.95 2.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.846 -0.534 . . . . 0.0 110.288 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.16 156.98 73.71 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.611 1.164 . . . . 0.0 110.22 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -62.74 151.88 81.43 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.558 2.172 . . . . 0.0 111.087 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -65.39 -1.07 2.18 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.579 0.751 . . . . 0.0 112.675 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.78 -22.31 66.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 111.337 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -123.71 147.9 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.23 1.012 . . . . 0.0 110.508 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.02 22.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 122.786 0.435 . . . . 0.0 111.29 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.96 130.31 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.126 0.57 . . . . 0.0 109.489 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -154.41 164.03 39.26 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.454 0.702 . . . . 0.0 111.263 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -80.88 160.28 24.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -60.56 -32.57 71.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.033 0.533 . . . . 0.0 112.252 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.69 -44.02 76.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.85 0.86 . . . . 0.0 111.743 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -90.75 -30.11 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.534 0.733 . . . . 0.0 110.72 -172.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -51.63 -35.96 44.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.755 0.822 . . . . 0.0 112.336 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -60.17 -30.52 69.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.427 0.691 . . . . 0.0 112.353 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.52 -36.63 76.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.536 0.734 . . . . 0.0 111.689 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.455 -0.215 0 O-C-N 122.121 -0.362 . . . . 0.0 110.156 176.75 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.6 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.41 107.13 9.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.234 2.614 . . . . 0.0 106.191 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -96.59 135.0 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.524 1.13 . . . . 0.0 109.471 -173.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.36 166.97 12.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.713 1.205 . . . . 0.0 111.129 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.41 109.91 15.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 107.957 168.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -122.14 129.5 52.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 109.975 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -73.94 153.36 39.81 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 111.062 171.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.761 HG11 HG12 ' D' ' 25' ' ' VAL . 15.6 m -57.38 139.07 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.365 0.602 . . . . 0.0 112.578 173.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.32 -6.34 83.45 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.643 1.116 . . . . 0.0 113.833 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.38 178.41 5.97 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.943 1.371 . . . . 0.0 112.579 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -131.13 156.33 45.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.737 0.815 . . . . 0.0 113.114 -169.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 57.0 mt -143.38 161.43 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.835 2.454 . . . . 0.0 108.782 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -140.28 152.23 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.377 -0.827 . . . . 0.0 112.482 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.16 139.26 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.782 1.233 . . . . 0.0 109.184 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.3 -135.7 51.38 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.78 10.05 5.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.059 0.943 . . . . 0.0 112.417 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -124.32 -14.53 6.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.934 0.894 . . . . 0.0 113.255 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.04 136.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.834 0.743 . . . . 0.0 110.881 -169.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -120.56 149.04 43.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.417 1.087 . . . . 0.0 109.706 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.5 142.92 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.312 1.445 . . . . 0.0 107.737 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -141.01 129.32 22.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.706 -0.622 . . . . 0.0 109.881 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -88.29 86.16 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.22 -32.21 73.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.821 -0.55 . . . . 0.0 111.753 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.93 -168.06 40.5 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.572 -0.823 . . . . 0.0 114.524 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.761 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -142.85 134.56 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.063 1.345 . . . . 0.0 110.246 -169.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 63.4 m -145.94 99.25 3.23 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.043 0.937 . . . . 0.0 109.818 -170.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -119.71 13.72 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.438 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mt-30 -97.16 -6.15 35.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.796 0.838 . . . . 0.0 111.038 173.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.2 159.98 25.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 112.573 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.98 124.37 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.588 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.37 113.98 18.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.85 115.97 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.662 0.785 . . . . 0.0 109.167 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.07 133.4 11.73 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 40.4 mt -122.71 138.64 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.953 0.901 . . . . 0.0 108.646 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -138.04 89.9 2.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.29 157.26 51.67 Favored Pre-proline 0 N--CA 1.451 -0.414 0 C-N-CA 124.681 1.193 . . . . 0.0 109.503 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.0 149.72 87.64 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 121.947 1.765 . . . . 0.0 110.41 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.65 -1.0 5.91 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.99 -23.94 66.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.926 1.291 . . . . 0.0 111.599 168.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.05 160.06 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.078 0.951 . . . . 0.0 110.879 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.96 157.09 16.06 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.464 0.706 . . . . 0.0 112.384 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.61 127.01 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 O-C-N 121.901 -0.5 . . . . 0.0 109.968 168.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -151.21 165.55 33.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.395 0.678 . . . . 0.0 111.991 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.56 158.19 18.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.267 0.627 . . . . 0.0 109.803 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.77 -36.73 79.7 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 121.722 -0.611 . . . . 0.0 111.305 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.25 -17.01 64.62 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -102.12 -40.59 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.021 0.928 . . . . 0.0 110.968 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -46.6 -39.83 11.81 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.344 1.458 . . . . 0.0 112.088 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.79 -26.09 67.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.828 1.251 . . . . 0.0 113.515 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.41 26.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.557 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.095 0.558 . . . . 0.0 110.303 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.02 127.05 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 158.01 26.51 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.797 1.639 . . . . 0.0 110.129 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . 0.509 HG22 ' HG3' ' F' ' 29' ' ' GLN . 1.5 m -127.12 132.72 50.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 168.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -142.06 134.82 28.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.324 0.65 . . . . 0.0 111.367 -168.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.63 161.31 14.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 122.755 0.422 . . . . 0.0 111.311 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . 0.609 HG11 HG12 ' E' ' 25' ' ' VAL . 10.5 m -57.77 139.71 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.984 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.11 -3.57 86.95 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.163 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.5 172.98 8.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.695 1.247 . . . . 0.0 111.493 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -137.06 156.8 47.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.47 155.34 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 126.631 1.972 . . . . 0.0 108.563 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -133.72 151.04 51.52 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -136.88 137.56 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.732 1.213 . . . . 0.0 109.047 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -136.76 49.8 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -124.68 9.96 8.36 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.176 0.991 . . . . 0.0 111.624 174.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.65 -7.38 1.47 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.69 135.36 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.988 0.813 . . . . 0.0 110.811 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -127.87 142.72 51.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.535 1.134 . . . . 0.0 110.062 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.21 137.32 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.501 . . . . 0.0 108.317 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -131.98 128.24 37.99 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.228 0.611 . . . . 0.0 109.79 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.51 103.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.74 -32.18 67.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.985 -0.447 . . . . 0.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.4 -176.03 40.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 113.852 0.301 . . . . 0.0 113.852 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.609 HG12 HG11 ' E' ' 8' ' ' VAL . 7.8 p -138.43 134.21 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.55 1.14 . . . . 0.0 111.658 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -149.99 110.04 4.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.835 1.254 . . . . 0.0 110.287 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.57 -124.2 23.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -89.81 -14.72 33.87 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.341 0.571 . . . . 0.0 111.773 170.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.08 148.91 27.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.215 1.007 . . . . 0.0 111.927 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.24 111.73 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -87.01 123.63 32.32 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -128.08 130.65 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.879 0.871 . . . . 0.0 110.427 -168.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.72 143.06 16.41 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.391 0.996 . . . . 0.0 111.464 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -134.44 126.55 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.746 1.219 . . . . 0.0 108.978 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -126.27 100.9 6.5 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.01 0.524 . . . . 0.0 109.589 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 154.89 73.52 Favored Pre-proline 0 N--CA 1.452 -0.349 0 C-N-CA 124.389 1.076 . . . . 0.0 110.541 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.72 158.89 39.77 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.866 2.377 . . . . 0.0 112.15 172.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -72.64 -0.97 14.46 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 171.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.11 -21.35 66.35 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.274 1.03 . . . . 0.0 111.377 168.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.84 158.6 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.358 1.063 . . . . 0.0 110.526 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.19 158.86 15.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.04 129.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.092 0.557 . . . . 0.0 110.511 171.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -151.82 170.44 19.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.933 0.893 . . . . 0.0 111.31 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -80.47 161.1 25.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 168.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.16 -18.49 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -169.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.55 -53.98 49.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.263 0.625 . . . . 0.0 110.42 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.34 -38.8 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.121 0.568 . . . . 0.0 109.579 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.143 0.977 . . . . 0.0 112.652 -177.834 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.72 149.4 21.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.012 -0.43 . . . . 0.0 111.481 175.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.48 133.92 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -130.94 162.94 28.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.695 1.198 . . . . 0.0 109.876 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -128.81 102.47 6.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 167.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.579 ' HD2' HD11 ' F' ' 12' ' ' ILE . 3.7 mmp_? -104.91 156.07 18.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.859 0.864 . . . . 0.0 109.652 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -114.12 167.56 10.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.72 132.63 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.912 -168.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.04 -11.44 65.83 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.384 0.992 . . . . 0.0 114.326 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -89.59 165.14 14.44 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.891 1.346 . . . . 0.0 112.407 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -134.29 151.56 51.33 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.579 HD11 ' HD2' ' F' ' 6' ' ' ARG . 48.4 mm -129.72 154.73 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 127.428 2.291 . . . . 0.0 108.385 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -134.03 146.05 50.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.485 -0.759 . . . . 0.0 111.235 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -135.53 142.54 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.386 1.074 . . . . 0.0 109.256 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.82 -132.3 51.04 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.83 10.09 5.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.155 0.982 . . . . 0.0 112.473 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -136.21 -16.17 1.66 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.18 136.95 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.345 0.975 . . . . 0.0 110.823 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -133.0 142.5 48.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.197 0.999 . . . . 0.0 110.631 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -123.3 142.68 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 125.96 1.704 . . . . 0.0 108.165 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -138.17 130.16 28.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.945 0.498 . . . . 0.0 110.152 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.05 114.89 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -85.65 -28.96 24.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.567 0.747 . . . . 0.0 110.95 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.47 -177.63 33.36 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.832 0.254 . . . . 0.0 113.66 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -120.89 158.44 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 123.561 0.744 . . . . 0.0 112.414 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -149.13 89.95 1.7 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.092 1.357 . . . . 0.0 108.092 168.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.36 -124.4 34.62 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -169.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.15 -17.84 61.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.556 0.742 . . . . 0.0 112.912 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . 0.509 ' HG3' HG22 ' E' ' 5' ' ' THR . 17.7 tt0 -85.54 143.49 28.47 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.59 118.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 125.485 1.514 . . . . 0.0 107.293 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -93.13 127.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.211 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.11 138.62 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.927 0.891 . . . . 0.0 110.761 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 142.26 15.52 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.184 0.897 . . . . 0.0 111.327 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -130.55 133.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.616 1.166 . . . . 0.0 109.494 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -132.95 108.36 8.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.655 0.782 . . . . 0.0 109.437 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.84 157.94 76.62 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.745 0.818 . . . . 0.0 111.418 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.21 162.14 37.26 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.092 2.528 . . . . 0.0 112.226 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -67.96 -11.85 59.61 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.706 0.802 . . . . 0.0 112.667 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -20.5 66.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.07 1.348 . . . . 0.0 112.686 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.98 165.69 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.741 0.817 . . . . 0.0 111.336 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.43 160.9 14.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.29 0.636 . . . . 0.0 111.729 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 p -154.98 114.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.737 0.815 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -152.28 174.21 14.07 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.851 0.86 . . . . 0.0 110.416 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.53 163.6 24.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.733 -0.604 . . . . 0.0 110.342 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -62.32 -25.96 68.17 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.05 0.54 . . . . 0.0 112.358 -172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.86 -44.26 90.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 111.676 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -86.62 -28.92 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.553 0.741 . . . . 0.0 109.739 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 123.919 0.888 . . . . 0.0 112.843 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.45 110.69 23.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.601 0.76 . . . . 0.0 109.602 -176.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.35 135.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.125 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.85 158.07 43.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.406 1.082 . . . . 0.0 109.772 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.4 m -119.88 100.96 7.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.63 140.88 41.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.134 0.973 . . . . 0.0 110.456 -169.293 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -105.87 155.48 19.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.941 0.337 . . . . 0.0 110.204 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.35 121.95 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.762 0.825 . . . . 0.0 110.584 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.48 -0.55 59.84 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.256 0.932 . . . . 0.0 114.272 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -101.16 166.52 10.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.71 1.255 . . . . 0.0 111.631 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 150.11 51.11 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' HD2' ' A' ' 6' ' ' ARG . 33.1 mm -112.31 155.04 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.722 1.609 . . . . 0.0 109.842 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -123.65 140.51 52.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.854 1.262 . . . . 0.0 110.201 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.97 134.45 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.162 0.985 . . . . 0.0 109.583 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.9 -129.14 29.59 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.04 2.23 4.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.592 0.757 . . . . 0.0 112.363 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -134.48 -14.14 2.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.04 137.9 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.785 0.834 . . . . 0.0 110.111 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.24 148.23 47.95 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.605 0.762 . . . . 0.0 109.303 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.13 141.85 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.906 1.283 . . . . 0.0 108.053 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 m -138.0 136.03 36.52 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.434 0.561 . . . . 0.0 109.91 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.31 101.14 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.93 58.05 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.664 -0.648 . . . . 0.0 111.39 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -167.95 40.68 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 118.108 0.413 . . . . 0.0 113.331 169.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.47 145.57 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.269 0.628 . . . . 0.0 111.607 -172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -137.36 67.21 1.44 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 110.154 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -127.46 9.12 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -80.32 -12.31 59.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 17.9 pt20 -98.77 133.05 43.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 122.518 1.152 . . . . 0.0 111.668 174.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.92 127.16 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 126.256 1.822 . . . . 0.0 108.287 -169.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -89.17 101.9 14.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.36 135.75 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.474 1.11 . . . . 0.0 109.395 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.37 141.63 17.1 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.147 0.879 . . . . 0.0 111.934 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.59 140.89 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.442 1.497 . . . . 0.0 108.503 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -129.11 74.99 1.62 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.786 1.234 . . . . 0.0 109.328 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.36 153.95 45.48 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 125.158 1.383 . . . . 0.0 110.775 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.6 155.64 49.73 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.556 2.171 . . . . 0.0 110.7 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -67.33 -5.77 15.77 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.25 -24.68 65.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.036 0.935 . . . . 0.0 112.084 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -120.38 144.1 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.886 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 143.04 38.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.426 1.091 . . . . 0.0 111.533 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 t -127.37 120.19 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -147.82 -176.02 5.1 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.892 0.877 . . . . 0.0 110.514 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.86 167.61 16.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 112.175 171.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.837 0.855 . . . . 0.0 112.334 -173.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -58.53 -25.18 62.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.871 1.268 . . . . 0.0 113.091 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.07 -24.29 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.151 1.38 . . . . 0.0 111.126 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.451 -0.378 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -174.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.16 122.0 42.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 107.499 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 mt -118.68 141.25 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.076 0.55 . . . . 0.0 112.073 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.06 135.3 29.04 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.658 1.183 . . . . 0.0 111.176 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -83.33 126.41 32.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 166.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -126.59 116.79 21.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.929 0.492 . . . . 0.0 110.028 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 58.8 tttt -82.7 149.08 27.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -57.28 128.57 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.607 -169.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.68 -6.86 59.11 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.926 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -88.77 167.81 12.99 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.068 1.434 . . . . 0.0 111.862 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -130.13 150.93 51.17 Favored 'General case' 0 C--N 1.338 0.073 0 C-N-CA 123.867 0.867 . . . . 0.0 112.873 -168.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 15.1 mt -132.42 153.69 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 126.502 1.921 . . . . 0.0 109.761 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -136.68 141.2 43.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 121.645 -0.659 . . . . 0.0 111.911 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -134.26 132.42 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 109.816 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.61 -137.4 50.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.8 4.02 9.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.627 0.771 . . . . 0.0 112.084 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.56 -15.42 8.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.792 0.837 . . . . 0.0 112.891 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.75 135.85 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 118.823 0.738 . . . . 0.0 110.654 -172.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -131.84 148.71 52.57 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.697 1.199 . . . . 0.0 109.759 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mm -130.6 144.47 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.708 1.603 . . . . 0.0 108.226 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -137.49 135.47 36.83 Favored 'General case' 0 C--N 1.334 -0.097 0 O-C-N 122.028 -0.42 . . . . 0.0 110.378 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.43 100.21 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.11 -29.52 60.6 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.695 -0.628 . . . . 0.0 111.394 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.3 -174.37 37.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 122.552 0.12 . . . . 0.0 113.129 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.99 154.93 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 CA-C-O 121.311 0.577 . . . . 0.0 111.459 177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -140.22 74.0 1.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.127 1.371 . . . . 0.0 108.637 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.96 -116.71 4.26 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -101.59 8.53 41.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.465 0.706 . . . . 0.0 110.881 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.97 154.36 18.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.912 0.885 . . . . 0.0 110.236 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.75 118.23 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.684 0.794 . . . . 0.0 109.246 -169.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -87.7 121.68 30.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.915 0.886 . . . . 0.0 109.696 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -131.25 134.53 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.492 1.117 . . . . 0.0 109.716 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 140.66 15.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 123.504 0.573 . . . . 0.0 111.743 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.08 132.17 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.867 0.867 . . . . 0.0 109.488 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -133.03 75.05 1.6 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.526 -168.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.65 157.49 51.91 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.773 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.78 156.66 41.89 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.05 1.834 . . . . 0.0 111.241 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -67.26 -0.73 3.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.166 0.987 . . . . 0.0 112.357 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.88 -25.74 67.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.707 1.603 . . . . 0.0 111.366 171.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.13 144.15 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.659 1.184 . . . . 0.0 110.286 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.72 142.8 29.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 111.403 169.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -143.45 95.07 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.974 -166.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 161.36 40.69 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.28 0.632 . . . . 0.0 111.699 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.4 ptt-85 -67.53 158.38 32.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -54.75 -36.75 65.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.711 0.804 . . . . 0.0 112.107 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -51.19 58.21 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.13 0.572 . . . . 0.0 111.437 174.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -71.08 -45.49 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.747 1.219 . . . . 0.0 110.491 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -51.87 -37.6 52.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.925 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -68.42 -25.07 64.84 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -81.51 -38.65 25.93 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.943 0.792 . . . . 0.0 110.461 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.515 HG22 ' NE2' ' B' ' 52' ' ' GLN . 93.0 mt -62.94 -41.4 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.515 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.7 mm-40 -79.89 5.11 14.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.56 -15.43 56.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.07 0.548 . . . . 0.0 111.698 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.05 46.2 0.13 Allowed Glycine 0 C--N 1.338 0.644 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.146 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.95 -176.62 2.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 113.009 -168.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -126.45 178.0 6.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.623 1.569 . . . . 0.0 109.15 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.03 118.68 0.96 Allowed Pre-proline 0 CA--C 1.53 0.193 0 C-N-CA 124.798 1.239 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.02 175.34 8.45 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.872 1.715 . . . . 0.0 113.771 -169.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.51 173.105 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.25 115.38 30.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.041 1.337 . . . . 0.0 108.338 170.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.41 133.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.583 0.753 . . . . 0.0 109.886 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.14 134.9 51.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.817 0.847 . . . . 0.0 109.52 168.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -90.2 139.24 30.83 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.77 130.2 18.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -75.55 151.3 37.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.503 1.121 . . . . 0.0 109.418 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.45 140.6 17.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 O-C-N 121.545 -0.722 . . . . 0.0 112.264 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.77 -3.92 84.93 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.661 1.124 . . . . 0.0 114.06 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -85.87 172.54 10.66 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.7 1.25 . . . . 0.0 112.706 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -132.63 157.7 44.13 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.174 0.99 . . . . 0.0 112.928 -172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -141.64 154.68 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 C-N-CA 127.021 2.129 . . . . 0.0 108.564 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -125.47 147.64 49.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.354 1.062 . . . . 0.0 111.757 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -136.12 139.97 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.887 1.275 . . . . 0.0 109.094 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -138.8 47.49 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.681 0.658 . . . . 0.0 111.622 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.76 7.46 11.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.142 0.977 . . . . 0.0 111.38 169.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -132.5 -11.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 113.398 -169.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.74 137.31 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 118.77 0.714 . . . . 0.0 110.788 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -126.59 143.73 51.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.494 1.117 . . . . 0.0 109.519 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -124.17 142.5 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.165 1.386 . . . . 0.0 108.202 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -135.4 131.98 36.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 122.117 -0.364 . . . . 0.0 110.452 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -88.06 111.99 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 168.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.402 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -88.65 -35.93 16.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.882 -0.511 . . . . 0.0 110.041 -175.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.33 178.58 40.18 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 113.945 0.338 . . . . 0.0 113.945 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.15 149.76 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.541 0.736 . . . . 0.0 110.589 172.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -144.88 104.38 3.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.566 1.146 . . . . 0.0 108.58 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.64 -128.68 27.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -169.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.71 -1.28 55.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.9 0.88 . . . . 0.0 112.208 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.59 153.98 22.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.445 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.59 122.89 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.18 0.992 . . . . 0.0 108.51 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.402 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.8 ttm180 -79.31 114.66 18.42 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 169.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.92 123.22 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.574 1.149 . . . . 0.0 109.602 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 141.81 20.68 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.138 1.351 . . . . 0.0 111.908 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -132.13 132.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -137.99 89.99 2.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.0 157.34 78.36 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.253 1.021 . . . . 0.0 110.127 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.76 154.16 71.11 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.635 2.223 . . . . 0.0 111.341 171.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.38 -0.88 2.93 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.534 0.734 . . . . 0.0 112.626 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.376 1.07 . . . . 0.0 111.445 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.27 151.85 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.172 0.989 . . . . 0.0 110.852 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.01 154.42 22.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.116 0.566 . . . . 0.0 111.571 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.45 128.94 21.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 123.053 0.541 . . . . 0.0 109.876 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -155.63 162.68 40.57 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.238 0.615 . . . . 0.0 111.787 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -77.57 163.72 26.01 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 165.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.81 -27.54 67.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.046 -0.409 . . . . 0.0 111.768 -170.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.02 -44.67 87.45 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.869 0.868 . . . . 0.0 111.456 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.23 -31.76 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 118.871 -0.585 . . . . 0.0 110.91 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.567 ' HA ' HD13 ' C' ' 51' ' ' ILE . 22.5 t80 -49.4 -41.28 39.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.64 0.654 . . . . 0.0 111.422 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -51.55 -20.75 2.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.576 1.95 . . . . 0.0 113.893 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -87.12 -39.18 15.78 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.567 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp . . . . . 0 N--CA 1.462 0.171 0 C-N-CA 125.28 1.432 . . . . 0.0 112.587 -168.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -128.08 109.28 11.38 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.093 1.757 . . . . 0.0 106.571 166.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.51 124.88 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 108.475 -172.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 mt -110.37 169.06 8.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.861 0.864 . . . . 0.0 110.031 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.79 109.82 12.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -117.32 131.52 56.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.851 0.861 . . . . 0.0 110.028 -168.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -75.61 153.27 37.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.523 0.601 . . . . 0.0 110.582 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.76 HG11 HG12 ' D' ' 25' ' ' VAL . 16.0 m -55.69 135.57 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.078 170.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.33 -2.52 74.65 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.391 0.996 . . . . 0.0 114.144 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -97.44 175.98 6.04 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.995 1.398 . . . . 0.0 112.642 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -132.44 161.89 32.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.82 0.848 . . . . 0.0 113.252 -168.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -146.1 159.24 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 127.278 2.231 . . . . 0.0 108.293 -171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.1 149.75 52.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.256 -0.902 . . . . 0.0 112.01 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -134.25 139.23 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.748 1.219 . . . . 0.0 109.802 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -134.75 52.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 10.02 5.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.698 0.799 . . . . 0.0 112.32 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -126.55 -13.09 6.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.008 0.923 . . . . 0.0 113.298 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.53 133.4 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.91 0.777 . . . . 0.0 110.515 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -117.28 148.85 41.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.962 0.905 . . . . 0.0 109.606 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.92 144.84 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.988 1.315 . . . . 0.0 108.164 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -140.48 140.8 35.39 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.834 -0.541 . . . . 0.0 109.849 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -98.82 91.56 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.93 -33.02 74.68 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.709 -0.619 . . . . 0.0 111.735 -168.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.99 40.88 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-O 121.474 0.486 . . . . 0.0 113.52 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.76 HG12 HG11 ' D' ' 8' ' ' VAL . 7.6 p -139.72 133.59 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.523 1.129 . . . . 0.0 110.077 -169.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -139.79 88.13 2.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.027 1.331 . . . . 0.0 109.232 -169.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -123.05 22.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -171.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -8.47 44.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.679 0.791 . . . . 0.0 110.98 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.17 156.42 20.34 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.893 0.854 . . . . 0.0 111.779 170.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.09 127.58 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 124.19 0.996 . . . . 0.0 108.7 -173.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -83.47 112.66 20.16 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 122.936 0.495 . . . . 0.0 109.85 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -115.23 120.79 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.352 0.661 . . . . 0.0 109.426 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.8 139.27 14.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.71 1.148 . . . . 0.0 110.862 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.4 mt -134.18 134.96 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -137.99 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.05 157.56 48.34 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.775 1.23 . . . . 0.0 109.032 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.85 149.45 90.06 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.591 1.528 . . . . 0.0 110.107 169.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -68.71 -1.02 6.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.79 -0.569 . . . . 0.0 112.512 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.96 -23.21 66.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.121 1.369 . . . . 0.0 111.779 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.31 160.04 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.182 0.993 . . . . 0.0 110.928 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.82 157.06 16.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.32 0.648 . . . . 0.0 112.677 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.46 126.01 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.925 0.49 . . . . 0.0 109.846 167.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -150.11 164.68 34.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.537 0.735 . . . . 0.0 111.538 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -60.93 156.95 16.35 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 168.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.55 -35.84 77.0 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.855 0.752 . . . . 0.0 111.457 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.42 -23.8 66.36 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 24.4 mm -95.1 -35.4 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.562 1.145 . . . . 0.0 111.064 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -51.68 -41.31 61.33 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.139 0.976 . . . . 0.0 111.185 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.66 -22.15 63.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.58 1.152 . . . . 0.0 113.213 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -81.03 -45.52 16.43 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.085 0.954 . . . . 0.0 110.837 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.57 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.1 mp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 171.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.46 138.95 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.011 0.925 . . . . 0.0 109.274 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.7 165.04 34.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.114 0.966 . . . . 0.0 112.052 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.86 127.65 49.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.468 0.707 . . . . 0.0 109.926 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.27 125.03 31.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.929 1.291 . . . . 0.0 109.919 -170.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -90.57 166.45 13.2 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 119.762 1.164 . . . . 0.0 112.457 174.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.85 137.02 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.967 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.56 83.87 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.125 0.869 . . . . 0.0 114.206 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -93.06 172.58 8.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.782 1.291 . . . . 0.0 111.595 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.36 158.41 44.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -138.49 156.38 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 126.914 2.085 . . . . 0.0 108.223 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.98 150.7 49.35 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.48 -0.763 . . . . 0.0 113.049 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.57 139.86 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.728 1.211 . . . . 0.0 108.995 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -138.3 49.74 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.12 4.46 9.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.94 0.896 . . . . 0.0 111.715 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.92 -3.65 2.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.748 0.819 . . . . 0.0 113.052 -170.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.87 133.97 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.87 0.759 . . . . 0.0 110.62 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -127.16 144.89 50.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.379 1.072 . . . . 0.0 109.997 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -126.24 140.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.272 1.429 . . . . 0.0 108.013 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -137.69 126.98 24.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.781 0.432 . . . . 0.0 109.913 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.35 105.34 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.38 -29.95 57.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.939 0.496 . . . . 0.0 110.904 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.91 -174.76 35.24 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.383 0.516 . . . . 0.0 113.673 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -120.6 155.45 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.029 0.932 . . . . 0.0 111.655 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -141.75 89.93 2.24 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.795 1.238 . . . . 0.0 109.112 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -104.97 1.45 Allowed Glycine 0 CA--C 1.524 0.647 0 O-C-N 121.827 -0.546 . . . . 0.0 111.891 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -98.42 -20.11 17.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.595 0.697 . . . . 0.0 111.894 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -71.4 148.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.278 0.631 . . . . 0.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 t -139.75 116.93 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -90.63 124.86 35.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.211 0.605 . . . . 0.0 109.682 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.91 130.04 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.083 0.553 . . . . 0.0 110.667 -168.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.47 143.89 16.76 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.263 0.935 . . . . 0.0 111.864 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.7 mt -133.77 126.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.455 1.502 . . . . 0.0 108.474 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -128.83 98.9 5.12 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -172.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.08 155.98 74.18 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 124.936 1.294 . . . . 0.0 110.014 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.43 159.09 32.98 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.585 2.19 . . . . 0.0 111.974 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' E' ' 38' ' ' LYS . 12.5 mmmm -69.27 -0.91 6.84 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.907 0.883 . . . . 0.0 112.642 169.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.92 -23.59 67.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 169.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.88 157.84 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 111.074 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.39 155.99 18.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.975 0.51 . . . . 0.0 111.878 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.99 125.52 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.877 0.471 . . . . 0.0 110.508 169.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -150.91 170.85 18.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -80.23 162.5 24.61 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.64 -0.662 . . . . 0.0 110.646 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -59.51 -26.5 65.36 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.365 0.666 . . . . 0.0 112.292 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -61.32 -49.9 75.13 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.259 1.024 . . . . 0.0 111.438 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.74 -31.83 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 N--CA 1.452 -0.355 0 C-N-CA 124.446 1.098 . . . . 0.0 112.583 178.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.61 149.31 21.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.072 -0.393 . . . . 0.0 111.413 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.0 128.04 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.41 0.684 . . . . 0.0 109.157 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.53 152.13 32.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.973 1.309 . . . . 0.0 109.262 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.73 97.02 4.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.82 145.09 51.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.55 0.74 . . . . 0.0 111.359 -175.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.67 174.18 7.39 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.88 139.12 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -5.6 82.2 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.862 0.744 . . . . 0.0 114.46 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.68 175.66 10.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.762 1.281 . . . . 0.0 112.742 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -145.33 150.07 35.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.504 1.122 . . . . 0.0 110.856 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.41 157.08 41.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 125.627 1.571 . . . . 0.0 108.605 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -130.88 149.48 52.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.285 -0.885 . . . . 0.0 112.159 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.4 mt -136.39 143.13 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.486 1.114 . . . . 0.0 109.07 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.74 -138.46 48.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -124.93 10.0 8.21 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.078 0.951 . . . . 0.0 112.31 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -133.16 -9.89 2.96 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.75 137.63 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.404 1.002 . . . . 0.0 111.217 -171.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -131.35 145.16 51.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.352 1.061 . . . . 0.0 110.589 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -124.25 141.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 126.037 1.735 . . . . 0.0 108.453 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 15.4 m -135.81 138.76 42.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.095 0.958 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -96.11 112.11 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.38 -28.25 41.9 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.649 0.38 . . . . 0.0 110.149 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.28 -169.42 31.52 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.611 0.624 . . . . 0.0 113.327 168.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.34 160.7 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.355 0.662 . . . . 0.0 112.04 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -148.99 95.88 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.493 1.117 . . . . 0.0 109.306 169.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.47 -102.93 1.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -100.47 -19.4 16.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.404 0.602 . . . . 0.0 112.126 171.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.59 144.75 45.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.05 0.54 . . . . 0.0 110.518 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.33 112.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -88.09 124.82 34.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.185 0.594 . . . . 0.0 109.489 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.98 142.45 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.408 1.083 . . . . 0.0 109.845 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.23 143.53 17.56 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.383 0.992 . . . . 0.0 111.128 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 57.3 mt -135.54 127.87 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.497 1.119 . . . . 0.0 109.662 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -124.68 105.72 9.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.577 0.751 . . . . 0.0 109.456 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.28 158.36 75.42 Favored Pre-proline 0 N--CA 1.453 -0.292 0 C-N-CA 124.207 1.003 . . . . 0.0 110.93 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.21 159.72 41.96 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.746 2.297 . . . . 0.0 112.357 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.5 -12.57 45.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -16.38 63.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 112.406 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.35 168.09 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.955 0.902 . . . . 0.0 110.875 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.63 158.88 15.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.347 0.659 . . . . 0.0 111.389 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.01 120.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.552 0.741 . . . . 0.0 109.993 174.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.68 177.73 11.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.937 0.895 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -79.66 164.09 24.04 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.045 -0.409 . . . . 0.0 109.939 168.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.39 -26.05 66.36 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.141 0.576 . . . . 0.0 112.426 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.23 -48.16 82.9 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.868 0.867 . . . . 0.0 111.4 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -83.46 -26.27 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.251 0.621 . . . . 0.0 110.347 -169.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 123.825 0.85 . . . . 0.0 112.686 174.363 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 113.48 25.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.137 0.88 . . . . 0.0 109.844 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.46 138.66 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.876 0.87 . . . . 0.0 110.05 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.2 mt -135.09 158.28 44.77 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.618 1.167 . . . . 0.0 109.831 173.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.7 m -126.81 118.02 23.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.821 0.848 . . . . 0.0 109.225 -173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -130.76 138.7 50.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.947 0.499 . . . . 0.0 111.399 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 158.94 18.59 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 168.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' HA2' ' A' ' 24' ' ' GLY . 70.1 t -43.28 127.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 111.146 174.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.7 -5.71 56.9 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.358 0.98 . . . . 0.0 114.584 174.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -92.82 165.55 12.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.973 1.386 . . . . 0.0 112.268 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.56 146.18 47.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.3 mm -110.41 157.4 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.366 1.466 . . . . 0.0 110.053 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.64 139.46 51.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.485 1.114 . . . . 0.0 110.142 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mt -133.72 128.75 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.152 0.981 . . . . 0.0 109.558 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.84 -128.75 32.23 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -123.86 -1.71 8.35 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.735 0.814 . . . . 0.0 112.498 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.76 -19.31 1.36 Allowed 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -169.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.16 132.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 119.188 0.904 . . . . 0.0 110.392 -172.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -127.08 142.09 51.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.749 0.82 . . . . 0.0 109.641 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -123.4 143.79 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.827 1.251 . . . . 0.0 108.335 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -139.29 135.76 34.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.477 0.58 . . . . 0.0 110.237 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.03 100.08 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.66 -30.26 62.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.99 -0.444 . . . . 0.0 110.215 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.77 -173.06 43.35 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 117.709 0.232 . . . . 0.0 113.497 169.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.84 156.29 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.8 0.84 . . . . 0.0 111.658 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -141.74 62.33 1.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.382 1.073 . . . . 0.0 109.976 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.54 -116.71 4.99 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.29 -14.98 58.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.28 0.632 . . . . 0.0 112.446 -175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -101.17 153.6 19.46 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.982 0.896 . . . . 0.0 112.644 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -132.37 117.3 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.937 1.695 . . . . 0.0 107.868 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -91.82 101.97 14.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.079 0.466 . . . . 0.0 110.046 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.81 133.42 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.881 1.272 . . . . 0.0 109.258 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.21 138.18 13.96 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.718 0.675 . . . . 0.0 111.454 170.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -111.94 130.61 65.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.365 1.466 . . . . 0.0 108.105 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -119.35 74.96 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.297 1.039 . . . . 0.0 109.1 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.37 153.83 40.2 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.191 1.396 . . . . 0.0 110.614 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.99 153.54 57.86 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.491 2.127 . . . . 0.0 110.405 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -68.0 -4.32 12.9 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.63 -22.95 63.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 112.29 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.91 144.08 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.803 0.811 . . . . 0.0 111.685 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.08 30.91 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.157 0.983 . . . . 0.0 110.842 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 129.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.699 0.4 . . . . 0.0 110.743 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -153.29 174.49 14.23 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.031 0.932 . . . . 0.0 110.762 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -108.1 164.78 11.99 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.704 0.402 . . . . 0.0 111.657 169.144 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.23 -24.43 67.34 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.22 -13.91 62.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.703 0.801 . . . . 0.0 111.902 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.16 -28.81 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.578 1.151 . . . . 0.0 110.907 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 N--CA 1.452 -0.338 0 O-C-N 121.391 -0.818 . . . . 0.0 110.678 -174.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.7 122.55 44.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 168.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -118.99 140.09 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.937 0.495 . . . . 0.0 111.968 -164.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -141.55 135.28 29.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.381 1.072 . . . . 0.0 111.079 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.0 p -86.83 125.32 33.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 166.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.2 OUTLIER -122.47 121.77 37.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.003 -178.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -74.42 155.25 38.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.867 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 24.5 m -63.32 124.63 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.852 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.55 56.71 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 118.926 -0.93 . . . . 0.0 115.031 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -90.88 166.57 13.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 119.05 1.425 . . . . 0.0 111.755 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -129.26 157.58 41.47 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.704 0.802 . . . . 0.0 113.026 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 22.6 mt -132.76 155.24 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.24 1.816 . . . . 0.0 109.532 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.23 139.0 40.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.922 -171.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.03 126.61 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.327 1.051 . . . . 0.0 109.462 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.01 52.2 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.03 4.91 5.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.809 0.844 . . . . 0.0 112.869 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -111.08 -22.1 11.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.71 137.76 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.983 0.81 . . . . 0.0 111.51 -169.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.54 152.19 51.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.016 1.326 . . . . 0.0 109.732 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -129.92 146.36 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.246 1.818 . . . . 0.0 107.737 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -139.32 133.58 31.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.669 0.388 . . . . 0.0 110.07 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.65 98.97 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -69.07 -32.81 72.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 122.097 -0.377 . . . . 0.0 111.283 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.05 -174.09 37.6 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 122.134 -0.079 . . . . 0.0 113.138 169.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.39 154.23 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.187 0.595 . . . . 0.0 110.912 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -138.3 77.81 1.65 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.732 1.213 . . . . 0.0 108.507 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.58 -115.9 4.25 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.461 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.71 15.12 23.92 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.078 0.439 . . . . 0.0 111.494 169.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -99.02 156.43 16.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.789 1.235 . . . . 0.0 109.962 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -140.31 119.86 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.782 0.833 . . . . 0.0 109.131 -168.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.52 119.21 30.6 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.935 1.294 . . . . 0.0 109.27 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.02 133.61 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.062 0.945 . . . . 0.0 110.377 -169.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.59 143.9 16.73 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 123.818 0.723 . . . . 0.0 112.204 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mt -125.98 129.73 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.231 1.012 . . . . 0.0 109.3 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -130.29 74.98 1.62 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.556 -168.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.49 48.27 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.416 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.84 156.6 37.37 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.779 1.653 . . . . 0.0 110.176 169.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -0.92 19.66 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 121.742 0.782 . . . . 0.0 111.04 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -22.82 66.57 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.837 1.655 . . . . 0.0 111.743 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.75 144.08 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.237 1.015 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 141.88 29.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.509 0.671 . . . . 0.0 111.602 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -141.98 95.4 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.053 -166.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.1 159.62 43.38 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 121.953 -0.467 . . . . 0.0 112.049 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.9 ptt-85 -67.15 160.54 26.62 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.169 0.588 . . . . 0.0 111.884 170.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -57.15 -41.08 78.47 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.217 0.607 . . . . 0.0 112.436 -172.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.07 -1.81 11.01 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -106.13 -51.67 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.279 1.031 . . . . 0.0 109.57 169.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -50.61 -37.11 38.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.452 1.501 . . . . 0.0 112.276 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.95 -21.81 63.23 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.97 -39.86 25.36 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.588 0.631 . . . . 0.0 110.683 170.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' NE2' ' B' ' 52' ' ' GLN . 99.7 mt -65.0 -39.04 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.486 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.3 mm-40 -80.4 5.04 16.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.66 -17.67 43.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.281 0.633 . . . . 0.0 112.075 169.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.51 47.36 0.09 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-O 119.526 -0.597 . . . . 0.0 114.417 169.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.94 -176.38 2.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.761 0.781 . . . . 0.0 112.882 -168.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -128.94 175.58 8.55 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.437 1.495 . . . . 0.0 109.016 167.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.95 118.46 0.67 Allowed Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.88 1.672 . . . . 0.0 113.282 -176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 41.5 Cg_exo -67.9 151.95 77.63 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.483 2.122 . . . . 0.0 112.987 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 124.032 0.933 . . . . 0.0 112.686 167.384 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 110.2 18.07 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.566 1.547 . . . . 0.0 106.945 164.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.31 136.17 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 124.171 0.988 . . . . 0.0 110.111 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.205 1.002 . . . . 0.0 109.549 169.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -94.89 147.26 23.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.014 0.526 . . . . 0.0 110.248 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 150.9 36.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.668 0.787 . . . . 0.0 111.374 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -85.36 156.13 21.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.195 0.998 . . . . 0.0 108.826 169.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.86 141.19 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 119.211 0.914 . . . . 0.0 111.686 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.42 -3.24 86.81 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.677 1.132 . . . . 0.0 114.743 -174.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.59 -176.08 6.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.712 1.756 . . . . 0.0 113.306 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -140.72 147.42 39.16 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 125.256 1.423 . . . . 0.0 112.318 -166.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' D' ' 44' ' ' ARG . 31.3 mm -144.15 153.92 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 126.996 2.118 . . . . 0.0 107.529 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.38 147.07 51.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.256 -0.902 . . . . 0.0 112.044 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -135.12 134.57 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.585 1.154 . . . . 0.0 109.221 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -140.17 46.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.789 0.709 . . . . 0.0 111.7 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -120.14 9.97 11.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.302 1.041 . . . . 0.0 111.35 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -127.89 -14.95 4.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 112.936 -170.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.38 136.55 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 118.614 0.643 . . . . 0.0 110.826 -172.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -126.16 138.93 53.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.571 1.148 . . . . 0.0 108.972 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.21 138.91 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -129.0 142.67 50.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.128 0.971 . . . . 0.0 109.45 -172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -103.08 129.59 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.47 -38.47 7.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.27 176.86 39.0 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.506 -0.378 . . . . 0.0 114.042 166.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.01 147.62 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.262 169.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -144.54 98.61 3.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.902 1.281 . . . . 0.0 107.862 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.84 -140.88 23.77 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.828 -169.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.76 5.67 24.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.963 0.905 . . . . 0.0 110.423 168.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.93 145.56 24.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.405 HG11 HG11 ' D' ' 30' ' ' VAL . 43.8 t -136.35 113.31 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -172.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -83.48 111.75 19.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.8 138.34 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.04 1.736 . . . . 0.0 109.114 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.42 139.9 14.66 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.022 0.82 . . . . 0.0 111.288 170.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.4 122.12 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.899 0.88 . . . . 0.0 108.815 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -123.28 93.05 3.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.942 0.497 . . . . 0.0 110.227 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.89 156.95 79.52 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.63 1.172 . . . . 0.0 110.057 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.38 152.39 77.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.654 2.236 . . . . 0.0 111.152 171.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.7 -0.92 3.24 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.369 0.668 . . . . 0.0 112.606 172.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.93 -22.21 66.48 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.277 1.031 . . . . 0.0 111.23 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.52 146.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.305 1.042 . . . . 0.0 110.517 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.34 156.99 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.577 0.351 . . . . 0.0 111.28 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.36 132.71 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 123.264 0.626 . . . . 0.0 109.666 172.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.17 165.16 36.75 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.145 0.578 . . . . 0.0 112.427 -173.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -69.63 155.14 40.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 166.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -60.11 -35.13 74.55 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.484 0.584 . . . . 0.0 111.599 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.22 -16.93 61.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.32 -35.15 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.886 0.874 . . . . 0.0 110.848 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -52.79 -35.27 56.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.68 1.192 . . . . 0.0 112.28 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.34 -27.46 65.94 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.8 0.84 . . . . 0.0 112.402 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -69.96 -40.32 75.48 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.584 0.753 . . . . 0.0 111.79 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.41 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.547 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -122.74 110.34 15.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.583 1.953 . . . . 0.0 106.986 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.56 142.93 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.597 1.159 . . . . 0.0 109.749 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.4 136.78 18.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.9 1.28 . . . . 0.0 109.849 -168.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.4 p -97.48 133.98 41.33 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.425 0.557 . . . . 0.0 109.727 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -126.26 154.28 43.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 167.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.2 154.96 18.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.404 171.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.14 125.95 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.158 0.504 . . . . 0.0 111.053 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.67 -5.5 67.0 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.132 0.872 . . . . 0.0 113.908 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.21 170.46 10.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.65 1.225 . . . . 0.0 111.808 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -132.11 158.77 40.75 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.12 158.1 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 128.045 2.538 . . . . 0.0 107.899 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -131.92 153.0 50.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.051 -1.031 . . . . 0.0 111.329 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -134.18 135.98 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.94 1.296 . . . . 0.0 109.323 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -136.61 49.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.14 9.62 8.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.086 0.954 . . . . 0.0 111.762 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.05 -12.18 1.94 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -171.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.73 132.8 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 118.906 0.775 . . . . 0.0 110.524 -171.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -119.26 148.96 42.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.149 0.98 . . . . 0.0 110.062 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -130.49 142.64 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.727 1.611 . . . . 0.0 107.973 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 56.9 m -138.45 130.48 28.36 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . 0.435 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.25 106.29 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 172.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.91 -35.54 57.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.728 -0.608 . . . . 0.0 111.007 -168.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.22 -173.83 44.82 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.268 0.461 . . . . 0.0 112.311 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.99 158.92 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.16 0.584 . . . . 0.0 110.761 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -143.24 75.12 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.763 0.825 . . . . 0.0 108.999 172.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.94 -113.14 3.65 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.82 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.31 -6.31 57.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.73 0.812 . . . . 0.0 110.585 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -85.26 158.56 20.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.935 0.874 . . . . 0.0 113.118 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.435 HG13 HD11 ' D' ' 22' ' ' ILE . 18.9 t -128.91 123.58 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.869 167.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -92.36 116.94 29.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -125.99 131.98 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.249 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.3 134.6 11.82 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 124.047 0.832 . . . . 0.0 111.092 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.04 140.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.36 1.064 . . . . 0.0 108.826 173.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -138.08 90.01 2.44 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.614 0.765 . . . . 0.0 109.708 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.61 158.63 46.72 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.602 1.161 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.55 150.91 87.31 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.047 1.831 . . . . 0.0 110.619 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -67.63 -0.97 4.41 Favored 'General case' 0 CA--C 1.526 0.03 0 C-N-CA 123.33 0.652 . . . . 0.0 112.719 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -69.76 -18.96 63.53 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.91 1.284 . . . . 0.0 112.0 168.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.59 160.11 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.158 0.983 . . . . 0.0 110.83 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.17 157.02 16.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.536 0.734 . . . . 0.0 112.596 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.09 127.44 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -152.5 173.38 15.21 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 123.521 0.729 . . . . 0.0 112.4 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . 0.517 ' HA ' HD13 ' C' ' 12' ' ' ILE . 9.5 mtp-105 -71.78 163.94 26.89 Favored 'General case' 0 C--O 1.227 -0.115 0 O-C-N 122.091 -0.381 . . . . 0.0 110.341 168.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.59 -40.0 93.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.028 0.531 . . . . 0.0 111.774 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.32 -26.36 67.27 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.41 -44.81 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.6 0.76 . . . . 0.0 109.945 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -48.83 -34.91 13.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.469 1.908 . . . . 0.0 113.002 -176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.92 -21.02 66.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.739 0.816 . . . . 0.0 113.004 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -46.2 14.01 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.958 0.903 . . . . 0.0 109.453 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.727 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.454 -0.232 0 C-N-CA 126.108 1.763 . . . . 0.0 111.24 173.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.458 0.17 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.2 135.69 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.041 0.936 . . . . 0.0 109.408 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -132.04 164.53 26.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.564 1.546 . . . . 0.0 110.553 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.84 100.79 4.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 167.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -113.26 141.3 47.15 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.531 1.132 . . . . 0.0 110.272 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -97.61 168.16 10.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.54 135.13 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.321 -169.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -4.06 82.11 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.129 0.871 . . . . 0.0 114.219 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -92.03 164.02 13.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.779 1.29 . . . . 0.0 111.495 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -130.39 158.63 39.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -169.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' E' ' 6' ' ' ARG . 25.0 mt -142.08 156.33 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.264 1.826 . . . . 0.0 108.076 -174.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.23 148.24 47.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.557 -0.714 . . . . 0.0 112.789 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -137.16 137.76 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.693 1.197 . . . . 0.0 109.026 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -136.85 50.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.22 9.99 6.79 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.919 0.888 . . . . 0.0 112.477 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.54 -12.17 4.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.48 135.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 119.204 0.911 . . . . 0.0 111.121 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -128.12 143.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.555 1.142 . . . . 0.0 109.962 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.29 143.31 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.34 1.456 . . . . 0.0 108.239 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -138.26 129.32 27.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.932 0.493 . . . . 0.0 110.074 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -77.44 109.76 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 169.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.99 -27.21 39.65 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.988 -0.445 . . . . 0.0 111.075 -175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -174.27 33.42 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.454 0.549 . . . . 0.0 113.296 169.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.44 157.79 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.582 0.753 . . . . 0.0 111.928 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -149.61 89.94 1.67 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.764 1.225 . . . . 0.0 109.28 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.24 -116.06 5.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -173.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.64 -20.69 22.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.409 0.605 . . . . 0.0 111.556 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -74.56 141.81 44.74 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.215 0.531 . . . . 0.0 110.065 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.13 117.63 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -85.25 127.24 34.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.8 135.46 55.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.216 -168.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 140.03 15.22 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 124.504 1.05 . . . . 0.0 111.334 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.96 124.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.59 1.156 . . . . 0.0 109.162 -177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -124.68 98.97 5.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.5 155.31 75.46 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.585 1.154 . . . . 0.0 110.309 177.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.31 159.82 37.9 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.974 2.449 . . . . 0.0 112.153 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -73.45 -0.88 16.22 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.54 -20.66 66.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.084 0.954 . . . . 0.0 111.506 168.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -126.12 160.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.264 1.026 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 159.18 15.07 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 129.13 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.234 0.614 . . . . 0.0 110.373 169.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -151.3 169.45 21.92 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.204 1.002 . . . . 0.0 110.978 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -77.61 166.65 22.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.77 -0.581 . . . . 0.0 109.637 168.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -30.22 61.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.08 -33.9 76.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.016 0.927 . . . . 0.0 111.417 -175.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.91 -38.55 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.727 0.811 . . . . 0.0 109.102 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.557 0.743 . . . . 0.0 112.725 -178.624 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.1 149.27 21.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.125 -0.36 . . . . 0.0 111.437 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.21 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 124.088 0.955 . . . . 0.0 108.703 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -131.88 162.24 31.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.749 1.219 . . . . 0.0 109.778 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.37 97.05 4.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 168.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.451 ' HG3' HD11 ' F' ' 12' ' ' ILE . 5.2 mmp_? -110.94 142.19 43.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.481 1.112 . . . . 0.0 110.316 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -96.37 168.67 10.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.32 137.6 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.374 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -4.89 82.13 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.086 0.85 . . . . 0.0 114.106 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.5 171.56 8.83 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.744 1.272 . . . . 0.0 111.919 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 24.7 m -135.25 158.46 44.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.606 0.717 . . . . 0.0 112.362 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.451 HD11 ' HG3' ' F' ' 6' ' ' ARG . 21.6 mt -143.2 153.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.241 1.417 . . . . 0.0 107.965 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -135.02 153.06 52.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.771 0.796 . . . . 0.0 112.246 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.32 139.69 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.347 1.459 . . . . 0.0 109.667 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.07 -138.19 47.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -121.52 9.59 10.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.086 0.954 . . . . 0.0 111.776 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.07 -13.9 0.91 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.24 133.84 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 119.124 0.875 . . . . 0.0 110.679 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -129.2 144.31 51.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.009 0.924 . . . . 0.0 110.568 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -124.75 142.19 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.36 1.864 . . . . 0.0 108.272 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.63 129.04 32.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 109.885 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.8 109.36 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -82.13 -27.45 32.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.56 0.744 . . . . 0.0 110.987 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.48 -173.16 34.29 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.282 0.468 . . . . 0.0 113.363 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.69 158.95 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.418 0.687 . . . . 0.0 112.153 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -149.8 91.8 1.84 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.837 1.255 . . . . 0.0 109.122 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.72 -103.06 1.28 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.842 -0.536 . . . . 0.0 111.933 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -101.46 -19.7 15.44 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 117.448 0.624 . . . . 0.0 112.196 170.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.5 140.62 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t -130.49 115.31 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -87.19 127.17 35.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.541 0.736 . . . . 0.0 109.149 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.43 141.42 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 124.047 0.939 . . . . 0.0 110.445 -167.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.23 140.43 16.33 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.059 0.838 . . . . 0.0 111.075 171.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -129.35 136.7 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.186 0.994 . . . . 0.0 109.43 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -130.43 109.65 10.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.909 0.884 . . . . 0.0 109.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.62 157.79 76.51 Favored Pre-proline 0 N--CA 1.454 -0.252 0 C-N-CA 123.779 0.831 . . . . 0.0 111.027 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.74 159.84 43.42 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.814 2.343 . . . . 0.0 112.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.35 -11.72 35.21 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 172.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.91 -15.65 61.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.961 1.304 . . . . 0.0 112.594 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.74 165.28 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.762 0.825 . . . . 0.0 111.156 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 159.78 14.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.113 0.565 . . . . 0.0 111.607 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.0 122.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.475 0.71 . . . . 0.0 110.059 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -153.61 174.19 14.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.106 0.962 . . . . 0.0 110.188 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.1 162.49 25.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.889 -0.507 . . . . 0.0 110.127 168.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.32 -25.2 67.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.99 0.516 . . . . 0.0 112.279 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -58.51 -43.61 89.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.976 0.911 . . . . 0.0 111.775 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.11 -29.93 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.486 0.714 . . . . 0.0 109.616 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 C-N-CA 124.022 0.929 . . . . 0.0 112.649 175.373 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.774 -0.631 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 112.62 25.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.948 0.794 . . . . 0.0 109.618 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.21 138.63 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.801 0.84 . . . . 0.0 109.459 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -135.05 154.7 51.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.989 0.916 . . . . 0.0 109.922 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.0 m -117.91 101.44 8.29 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.479 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.489 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -107.29 139.07 42.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.068 0.947 . . . . 0.0 110.927 -168.523 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -103.73 156.33 17.89 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.149 0.431 . . . . 0.0 110.608 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.05 124.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.571 0.748 . . . . 0.0 110.917 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.87 -5.18 72.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.214 0.911 . . . . 0.0 114.447 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.39 166.9 11.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.643 1.221 . . . . 0.0 111.301 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -137.2 148.99 46.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -168.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.489 HD11 ' HD2' ' A' ' 6' ' ' ARG . 31.8 mm -109.5 155.46 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.7 1.6 . . . . 0.0 109.652 169.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -127.43 138.33 52.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.656 1.182 . . . . 0.0 109.879 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mt -134.11 131.54 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.159 0.983 . . . . 0.0 109.474 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.64 -128.96 30.21 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -127.1 -0.27 6.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.911 0.885 . . . . 0.0 112.364 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -135.7 -17.76 1.69 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 139.03 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.697 0.68 . . . . 0.0 110.282 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 m -134.64 143.79 47.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.7 0.8 . . . . 0.0 109.185 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -125.8 138.8 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 108.204 -176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.6 m -134.12 132.89 40.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.293 0.497 . . . . 0.0 110.028 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -82.03 101.19 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 169.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.33 -30.29 63.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.104 -0.373 . . . . 0.0 110.17 -174.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.03 -176.78 43.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 113.73 0.252 . . . . 0.0 113.73 168.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.93 144.4 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.056 0.942 . . . . 0.0 111.044 -172.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -138.39 68.71 1.39 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.798 1.239 . . . . 0.0 109.898 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -118.05 6.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.85 -12.38 59.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.464 0.706 . . . . 0.0 112.149 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -105.55 149.79 25.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.822 0.82 . . . . 0.0 112.377 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.4 130.41 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 126.75 2.02 . . . . 0.0 108.202 -169.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -109.02 101.95 10.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.149 0.5 . . . . 0.0 110.702 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.66 135.38 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.429 1.491 . . . . 0.0 109.523 -172.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.33 137.91 14.23 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.772 0.701 . . . . 0.0 111.557 170.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.05 132.53 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.131 1.372 . . . . 0.0 108.377 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -118.9 76.89 1.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.697 1.199 . . . . 0.0 109.267 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 152.73 45.89 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.786 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.68 154.4 54.42 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.486 2.124 . . . . 0.0 110.474 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -68.01 -5.39 17.09 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.37 -25.59 65.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 0.0 112.274 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -115.18 144.0 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 121.899 0.857 . . . . 0.0 111.809 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.75 143.09 40.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.356 1.062 . . . . 0.0 111.503 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.26 120.35 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.525 0.73 . . . . 0.0 109.329 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -144.92 -175.96 4.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.293 1.037 . . . . 0.0 110.067 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 164.05 27.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.39 -34.26 68.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.41 1.484 . . . . 0.0 113.672 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -61.14 -19.91 62.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 112.296 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -122.3 -24.97 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 125.612 1.565 . . . . 0.0 110.792 -173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 121.367 -0.833 . . . . 0.0 110.479 -176.567 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.5 tpp . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -112.69 121.42 44.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.05 140.13 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -165.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -135.26 135.09 40.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.64 1.176 . . . . 0.0 110.818 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -102.43 105.37 15.94 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' B' ' 12' ' ' ILE . 8.5 mmp_? -121.86 145.16 48.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.556 1.142 . . . . 0.0 111.274 -168.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -91.18 159.47 16.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.437 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.94 130.01 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.197 0.522 . . . . 0.0 110.551 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.99 -5.67 72.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.974 -0.903 . . . . 0.0 114.63 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -87.26 161.65 17.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.208 1.504 . . . . 0.0 111.705 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -128.07 153.2 47.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.739 0.816 . . . . 0.0 111.987 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' B' ' 6' ' ' ARG . 11.7 mt -132.76 155.16 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.167 1.387 . . . . 0.0 109.227 -175.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -135.09 130.16 35.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.066 0.546 . . . . 0.0 110.893 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.66 135.63 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 117.071 -1.443 . . . . 0.0 107.373 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 26.4 118.32 0.0 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 115.842 -2.644 . . . . 0.0 110.029 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.46 4.95 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 120.846 3.647 . . . . 0.0 120.846 -155.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.5 m-20 -86.63 -23.74 25.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.911 1.284 . . . . 0.0 112.175 163.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.78 141.13 27.01 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 121.405 1.911 . . . . 0.0 112.822 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.7 m -134.75 150.53 50.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.254 1.422 . . . . 0.0 109.458 168.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -127.79 148.48 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.506 1.522 . . . . 0.0 108.321 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -141.01 125.8 18.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.768 0.427 . . . . 0.0 110.557 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.42 113.42 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.68 -32.02 28.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.883 -0.511 . . . . 0.0 110.167 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.22 178.68 38.59 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 113.445 0.138 . . . . 0.0 113.445 170.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.3 152.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.202 0.601 . . . . 0.0 110.952 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -134.98 76.93 1.65 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.558 1.143 . . . . 0.0 108.542 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.9 -119.39 5.05 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 9.69 42.96 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.953 0.501 . . . . 0.0 110.704 176.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.96 151.37 20.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.334 1.054 . . . . 0.0 110.034 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 t -139.76 112.06 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.603 0.761 . . . . 0.0 109.147 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -90.99 113.22 25.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.135 1.374 . . . . 0.0 109.233 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.36 134.51 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.793 1.237 . . . . 0.0 110.479 -168.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.73 140.5 15.07 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.418 0.532 . . . . 0.0 111.804 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.401 HG21 HG11 ' B' ' 42' ' ' VAL . 44.1 mt -119.21 131.06 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.888 0.875 . . . . 0.0 109.25 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -130.72 74.98 1.63 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.166 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 156.32 51.98 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.043 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -56.95 153.59 37.17 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.517 1.478 . . . . 0.0 110.205 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -66.01 -0.72 2.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.272 0.629 . . . . 0.0 111.911 170.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.94 -31.08 71.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.994 1.717 . . . . 0.0 111.981 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.37 144.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.408 1.083 . . . . 0.0 110.326 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.44 141.92 30.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.635 0.731 . . . . 0.0 111.786 169.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.401 HG11 HG21 ' B' ' 34' ' ' ILE . 18.1 t -144.62 98.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.665 -166.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.45 159.35 43.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.826 -0.546 . . . . 0.0 111.754 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.5 ptt-85 -65.11 157.37 28.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.702 0.401 . . . . 0.0 111.212 169.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.62 -39.66 74.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.04 -5.92 24.88 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mm -101.44 -51.44 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.036 0.934 . . . . 0.0 109.812 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -50.84 -36.92 40.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.912 1.285 . . . . 0.0 112.198 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.42 -22.19 62.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -174.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -78.12 -42.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.91 0.777 . . . . 0.0 110.201 169.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.513 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.5 mt -63.96 -39.12 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.312 0.645 . . . . 0.0 109.262 -173.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.513 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.6 mm-40 -81.19 4.96 18.39 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.99 -19.85 43.12 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.177 0.591 . . . . 0.0 111.518 168.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.28 48.53 0.08 OUTLIER Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.987 169.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -176.39 2.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.732 0.766 . . . . 0.0 112.505 -168.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -128.05 -176.97 3.95 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.261 1.425 . . . . 0.0 109.577 168.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -40.96 123.38 1.97 Allowed Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.208 1.003 . . . . 0.0 111.536 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 58.7 Cg_exo -62.29 173.32 3.42 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.908 2.405 . . . . 0.0 114.33 -170.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.194 0.998 . . . . 0.0 112.181 176.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.358 -0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 112.21 25.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 168.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.03 135.04 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.857 0.863 . . . . 0.0 110.029 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.57 134.86 48.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.154 0.982 . . . . 0.0 109.803 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -88.79 139.71 30.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.491 HH21 ' HB ' ' C' ' 22' ' ' ILE . 6.1 mtm180 -131.22 164.01 26.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.348 0.659 . . . . 0.0 109.418 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 10.1 tptm -114.85 153.19 30.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.56 132.25 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-N 119.52 1.055 . . . . 0.0 111.893 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.55 -4.4 72.88 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.967 1.27 . . . . 0.0 114.651 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.38 173.21 12.58 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.791 1.795 . . . . 0.0 113.295 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -143.95 155.54 44.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.212 1.405 . . . . 0.0 111.032 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' D' ' 44' ' ' ARG . 39.7 mm -142.11 149.78 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 126.344 1.858 . . . . 0.0 108.41 -171.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.36 140.57 49.01 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.596 0.758 . . . . 0.0 110.855 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -126.65 130.0 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 108.295 170.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.06 -135.15 52.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -168.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -123.94 10.0 8.82 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.853 0.861 . . . . 0.0 111.145 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -123.75 -16.87 6.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.232 1.013 . . . . 0.0 112.98 -169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.7 137.84 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.442 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -125.43 138.68 54.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.588 1.155 . . . . 0.0 109.506 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mm -120.02 142.0 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.121 0.968 . . . . 0.0 108.848 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -135.7 137.62 41.95 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.286 0.635 . . . . 0.0 110.505 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.491 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.3 tp -95.61 122.11 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -95.06 -37.41 11.11 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -177.27 43.65 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.004 -0.617 . . . . 0.0 114.291 168.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.53 148.36 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.574 0.75 . . . . 0.0 110.379 170.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.6 m -146.32 109.91 4.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.852 1.261 . . . . 0.0 107.939 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.65 -141.89 29.17 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.239 -169.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -86.96 6.03 34.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.796 0.838 . . . . 0.0 110.846 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.07 145.5 25.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.771 1.628 . . . . 0.0 111.105 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.47 126.02 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.877 0.871 . . . . 0.0 108.707 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -87.11 114.24 23.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -118.29 134.01 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 125.352 1.461 . . . . 0.0 108.845 -173.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.91 143.38 15.79 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.107 0.861 . . . . 0.0 111.836 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -131.25 122.15 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.747 1.219 . . . . 0.0 108.585 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -124.49 95.99 4.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.108 0.563 . . . . 0.0 110.18 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.83 158.15 76.13 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.467 1.107 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -62.19 152.54 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.625 2.217 . . . . 0.0 111.227 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.76 -0.87 2.39 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.482 0.713 . . . . 0.0 112.645 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.98 -22.31 66.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.276 1.031 . . . . 0.0 111.463 169.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.61 146.09 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.112 0.965 . . . . 0.0 110.522 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.13 155.48 23.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 122.695 0.398 . . . . 0.0 111.155 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.05 132.17 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -153.87 164.24 38.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.487 0.715 . . . . 0.0 111.261 -176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.662 HH21 HD22 ' D' ' 4' ' ' LEU . 7.7 ptp85 -81.9 158.57 23.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 166.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -60.12 -35.74 75.93 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -169.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.43 -14.47 61.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mm -97.34 -36.81 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.491 0.716 . . . . 0.0 110.634 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -51.29 -36.68 43.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.539 1.136 . . . . 0.0 112.655 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.4 -30.89 67.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 112.358 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -68.03 -36.76 80.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.572 0.749 . . . . 0.0 111.899 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.418 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.453 -0.278 0 O-C-N 121.975 -0.453 . . . . 0.0 109.886 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.461 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.14 117.99 31.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.445 1.898 . . . . 0.0 108.955 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.461 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -111.22 138.89 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.142 1.377 . . . . 0.0 109.892 -169.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . 0.662 HD22 HH21 ' C' ' 44' ' ' ARG . 64.7 mt -136.69 159.23 42.46 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.502 1.521 . . . . 0.0 111.758 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.76 111.19 18.77 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 166.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.91 148.05 42.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.975 0.51 . . . . 0.0 110.277 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.86 159.54 23.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.158 0.583 . . . . 0.0 110.285 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -55.76 134.37 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.877 0.471 . . . . 0.0 111.205 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -1.57 78.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.097 0.856 . . . . 0.0 114.299 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.97 171.92 8.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.817 1.309 . . . . 0.0 112.01 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -129.5 156.04 44.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.0 160.24 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 127.458 2.303 . . . . 0.0 108.6 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -139.87 151.19 45.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.919 0.887 . . . . 0.0 112.786 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.31 139.13 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.096 1.358 . . . . 0.0 109.1 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.67 -139.12 48.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.52 8.71 10.75 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.837 0.855 . . . . 0.0 111.721 170.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -131.66 -12.53 3.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.25 138.27 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 118.723 0.692 . . . . 0.0 110.728 -172.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -122.46 145.96 47.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.441 1.096 . . . . 0.0 109.669 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -128.49 138.83 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.327 1.451 . . . . 0.0 107.862 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -134.69 128.99 34.08 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -85.76 110.46 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -84.8 -28.42 26.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.343 0.657 . . . . 0.0 110.713 -171.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -172.66 38.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.416 0.531 . . . . 0.0 112.826 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.99 160.71 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.627 0.771 . . . . 0.0 111.328 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -143.63 75.77 1.49 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.946 0.899 . . . . 0.0 110.191 171.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -115.22 4.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.459 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mp0 -91.63 -4.45 55.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.269 0.628 . . . . 0.0 110.091 170.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -77.2 156.52 31.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.427 0.632 . . . . 0.0 112.581 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.51 123.39 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.077 1.351 . . . . 0.0 107.566 169.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.91 119.94 34.29 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.453 1.101 . . . . 0.0 108.452 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.51 131.57 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 111.259 -167.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.94 142.15 16.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.389 0.995 . . . . 0.0 111.367 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.74 138.57 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -138.06 89.94 2.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.83 155.18 63.9 Favored Pre-proline 0 N--CA 1.45 -0.446 0 C-N-CA 124.768 1.227 . . . . 0.0 109.645 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.31 150.12 86.28 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.052 1.835 . . . . 0.0 110.535 169.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.45 -0.97 5.58 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 175.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.59 -23.07 66.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.848 1.259 . . . . 0.0 111.576 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.43 157.65 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.164 0.986 . . . . 0.0 110.531 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.72 157.01 16.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.76 123.12 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.879 0.471 . . . . 0.0 109.921 168.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -147.54 163.01 37.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.673 0.789 . . . . 0.0 111.212 174.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' C' ' 12' ' ' ILE . 51.8 mtp85 -60.46 157.22 14.46 Favored 'General case' 0 C--O 1.227 -0.131 0 O-C-N 121.923 -0.485 . . . . 0.0 110.178 169.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.46 -33.62 68.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.077 0.399 . . . . 0.0 110.98 169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -57.79 -54.51 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.128 1.371 . . . . 0.0 111.806 171.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.23 -39.39 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.901 0.88 . . . . 0.0 110.312 -174.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -53.08 -39.21 63.17 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.351 1.46 . . . . 0.0 112.116 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.77 -25.45 64.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.44 1.096 . . . . 0.0 112.656 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.18 -41.92 63.31 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.169 0.587 . . . . 0.0 110.471 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.552 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.456 -0.167 0 C-N-CA 125.379 1.472 . . . . 0.0 109.76 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.45 136.08 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.818 0.847 . . . . 0.0 109.762 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.25 165.01 22.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.548 1.539 . . . . 0.0 111.138 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 103.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 167.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -113.21 128.01 56.35 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.313 1.445 . . . . 0.0 109.894 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -87.15 164.82 16.17 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 119.402 1.001 . . . . 0.0 112.748 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -58.75 138.53 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.16 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.98 82.96 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 118.985 -0.897 . . . . 0.0 113.922 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -94.48 177.0 6.08 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.927 1.364 . . . . 0.0 112.109 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.3 m -134.28 158.47 43.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -169.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -139.96 158.3 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 126.99 2.116 . . . . 0.0 108.203 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -135.29 149.84 49.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -136.46 137.42 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.812 1.245 . . . . 0.0 108.947 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -138.28 49.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.51 5.2 10.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 111.744 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.4 -6.24 2.59 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.15 135.7 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.96 0.8 . . . . 0.0 110.762 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -126.86 140.77 52.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.442 1.097 . . . . 0.0 109.663 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -120.49 138.08 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.945 1.298 . . . . 0.0 108.328 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -133.27 125.09 28.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.113 0.565 . . . . 0.0 109.814 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.87 103.12 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.34 -29.92 60.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.032 -0.418 . . . . 0.0 111.018 -173.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.81 -174.93 34.47 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 123.049 0.357 . . . . 0.0 113.911 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.76 159.56 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.141 0.976 . . . . 0.0 111.926 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.94 89.96 1.65 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.699 1.199 . . . . 0.0 109.356 169.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.45 -102.96 1.34 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.754 -0.591 . . . . 0.0 111.884 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -100.04 -21.47 15.6 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 117.731 0.766 . . . . 0.0 111.71 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -70.29 144.25 51.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.52 116.01 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -89.37 125.16 35.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.462 HD12 HH11 ' F' ' 6' ' ' ARG . 1.4 mt -135.87 131.62 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.029 0.532 . . . . 0.0 110.493 -168.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.79 141.71 15.77 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 124.394 0.997 . . . . 0.0 111.473 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -133.19 121.01 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 108.749 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -120.76 99.3 6.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.24 0.616 . . . . 0.0 109.39 -172.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.72 155.17 75.16 Favored Pre-proline 0 N--CA 1.451 -0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 110.641 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.38 158.98 42.11 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.998 2.465 . . . . 0.0 112.183 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -72.46 -1.06 14.31 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 171.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.54 -21.79 66.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.235 1.014 . . . . 0.0 111.455 168.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -124.38 159.24 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.55 158.64 15.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.144 177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.05 125.34 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 122.977 0.511 . . . . 0.0 110.197 168.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -151.09 169.81 20.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.117 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -69.0 154.93 41.23 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -61.25 -26.72 67.95 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.85 -49.16 74.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.544 1.138 . . . . 0.0 111.548 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.74 -34.53 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.192 0.997 . . . . 0.0 110.141 -171.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 124.562 1.145 . . . . 0.0 112.441 178.696 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . 0.404 HD12 HG13 ' E' ' 42' ' ' VAL . 7.7 mt -94.52 149.06 21.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.916 -0.49 . . . . 0.0 111.641 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.73 134.42 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 168.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -129.05 160.43 32.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.895 1.278 . . . . 0.0 109.507 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.15 97.76 4.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.462 HH11 HD12 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -118.6 160.99 20.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.099 0.56 . . . . 0.0 111.094 172.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -106.29 175.91 5.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.347 0.659 . . . . 0.0 111.572 -170.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.97 137.5 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.122 0.487 . . . . 0.0 112.221 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.56 83.91 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.145 0.879 . . . . 0.0 115.086 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -83.74 170.26 14.38 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.091 1.445 . . . . 0.0 112.122 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -133.66 153.35 51.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.495 0.718 . . . . 0.0 112.627 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -136.05 157.2 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 126.622 1.969 . . . . 0.0 107.612 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -131.04 150.31 52.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.482 0.713 . . . . 0.0 112.07 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.74 142.67 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.777 1.231 . . . . 0.0 109.021 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.84 -139.42 48.6 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -120.57 10.07 11.0 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.278 1.031 . . . . 0.0 112.458 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.15 -22.36 1.17 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.0 138.44 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.52 1.054 . . . . 0.0 111.059 -169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -127.6 144.33 51.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 110.653 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -125.84 130.96 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.412 1.485 . . . . 0.0 108.665 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -130.23 129.71 43.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.485 0.714 . . . . 0.0 110.209 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -87.27 113.0 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.59 -32.06 32.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.741 0.416 . . . . 0.0 110.385 -176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.12 -175.31 34.61 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.193 0.425 . . . . 0.0 113.544 168.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.12 153.88 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.02 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -142.35 90.02 2.21 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.124 1.37 . . . . 0.0 109.012 169.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -102.98 1.14 Allowed Glycine 0 CA--C 1.525 0.686 0 O-C-N 121.845 -0.534 . . . . 0.0 111.93 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.91 -22.41 16.34 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.645 0.723 . . . . 0.0 111.963 170.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -71.82 141.07 49.65 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.071 0.463 . . . . 0.0 110.087 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -131.21 113.75 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -87.02 123.85 32.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.77 135.41 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.868 0.867 . . . . 0.0 109.994 -168.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.12 137.38 13.66 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.975 0.797 . . . . 0.0 111.122 170.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -124.93 138.22 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 109.098 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -132.7 106.06 7.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.392 0.677 . . . . 0.0 109.653 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.81 158.05 73.57 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.33 162.32 36.8 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.017 2.478 . . . . 0.0 112.19 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.88 -12.46 60.7 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.589 0.756 . . . . 0.0 112.759 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -65.19 -20.5 66.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.929 1.292 . . . . 0.0 112.602 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -127.75 163.06 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.761 0.824 . . . . 0.0 111.108 -176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.83 162.07 13.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.358 0.663 . . . . 0.0 111.279 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 127.73 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.472 0.709 . . . . 0.0 109.864 171.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -154.97 171.3 19.94 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 109.961 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 161.67 27.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.75 -0.594 . . . . 0.0 109.921 168.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.47 -25.77 68.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -42.5 79.68 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 0.0 111.734 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -89.97 -31.26 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.985 0.914 . . . . 0.0 109.967 -173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 123.744 0.818 . . . . 0.0 112.775 179.313 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 ttp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 111.6 23.53 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.607 0.639 . . . . 0.0 109.534 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.65 134.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.367 0.667 . . . . 0.0 109.222 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.4 mt -133.73 153.61 51.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.45 1.1 . . . . 0.0 109.536 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m -119.4 100.89 7.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -96.01 166.15 11.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.075 0.55 . . . . 0.0 110.379 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 159.06 35.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.138 0.575 . . . . 0.0 109.464 169.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -46.33 120.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.414 0.686 . . . . 0.0 111.036 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.01 -14.51 57.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.722 1.153 . . . . 0.0 114.183 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.72 165.46 18.87 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.333 1.567 . . . . 0.0 112.399 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.7 m -135.7 152.83 51.56 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.0 mm -114.74 155.3 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 125.73 1.612 . . . . 0.0 109.611 169.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.59 137.91 53.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.707 1.203 . . . . 0.0 109.963 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.78 125.97 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.117 0.967 . . . . 0.0 109.336 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.62 -128.94 35.92 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -129.53 5.0 5.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.848 0.859 . . . . 0.0 112.976 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -121.91 -28.98 4.36 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.38 134.7 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.817 0.735 . . . . 0.0 110.508 -170.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -129.49 141.53 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.762 0.825 . . . . 0.0 109.903 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -123.4 141.55 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.957 1.303 . . . . 0.0 108.279 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -137.46 136.68 37.99 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.22 100.8 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -26.33 58.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.792 -0.568 . . . . 0.0 111.248 -168.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.64 43.73 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 118.106 0.412 . . . . 0.0 113.646 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.76 151.07 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.801 0.84 . . . . 0.0 111.368 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -139.56 63.12 1.5 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.352 1.061 . . . . 0.0 110.096 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.17 -120.73 5.51 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' B' ' 7' ' ' LYS . 33.0 tt0 -82.12 -11.37 58.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.188 0.595 . . . . 0.0 112.299 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -101.21 149.12 24.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.896 0.855 . . . . 0.0 113.233 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.14 128.03 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 126.625 1.97 . . . . 0.0 108.411 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -94.72 101.93 13.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.155 0.982 . . . . 0.0 109.416 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -108.02 136.74 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.097 0.959 . . . . 0.0 109.475 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.53 138.01 14.55 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.039 0.828 . . . . 0.0 111.677 170.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.42 135.21 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.034 1.334 . . . . 0.0 108.598 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -126.54 75.04 1.51 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 122.131 0.967 . . . . 0.0 109.675 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.34 154.15 38.53 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.154 -1.384 . . . . 0.0 110.765 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.06 154.91 52.72 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.665 2.243 . . . . 0.0 110.439 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -68.82 -3.91 14.22 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.34 -25.45 65.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.871 0.868 . . . . 0.0 111.952 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -116.37 144.08 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.828 0.823 . . . . 0.0 111.587 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.09 143.03 34.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.925 0.89 . . . . 0.0 110.748 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.97 126.21 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 170.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -150.99 157.16 42.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.684 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' B' ' 12' ' ' ILE . 12.6 ptp180 -74.14 162.53 28.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.598 0.359 . . . . 0.0 111.517 169.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -73.27 -25.52 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 O-C-N 122.006 -0.434 . . . . 0.0 112.057 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.8 -19.97 64.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.837 1.255 . . . . 0.0 112.751 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -120.58 -26.33 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.386 1.074 . . . . 0.0 110.968 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.26 -32.04 71.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.25 -0.906 . . . . 0.0 110.792 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -75.96 -17.49 59.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.732 0.813 . . . . 0.0 111.787 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.42 -35.07 31.11 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.185 0.994 . . . . 0.0 111.19 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.31 -51.76 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.724 0.81 . . . . 0.0 109.532 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -81.3 5.16 18.08 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.575 0.75 . . . . 0.0 112.25 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -29.99 70.79 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.19 25.3 0.22 Allowed Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.484 -0.62 . . . . 0.0 113.532 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -123.1 -178.17 3.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.982 1.313 . . . . 0.0 109.655 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 p 64.1 167.59 0.16 Allowed 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 126.031 1.732 . . . . 0.0 112.861 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.01 152.68 47.93 Favored Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 111.341 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.12 164.58 32.85 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.455 2.77 . . . . 0.0 112.241 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.45 -0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 111.54 -175.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -129.16 115.24 17.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.461 1.505 . . . . 0.0 108.213 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.06 138.55 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.86 0.864 . . . . 0.0 111.389 -168.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -141.72 146.13 35.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.831 1.253 . . . . 0.0 111.066 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -91.51 129.18 37.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 166.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.427 ' HD2' HD11 ' B' ' 12' ' ' ILE . 11.5 mmp_? -122.85 127.67 49.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.396 0.679 . . . . 0.0 110.029 170.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 28' ' ' GLN . 26.8 mttt -77.33 153.45 33.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.97 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 28.1 m -57.26 129.84 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.491 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.57 -8.92 64.31 Favored Glycine 0 CA--C 1.527 0.781 0 CA-C-O 119.057 -0.857 . . . . 0.0 114.868 -175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -88.48 165.2 15.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.126 1.463 . . . . 0.0 111.771 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.38 156.95 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 44' ' ' ARG . 34.5 mm -135.81 152.21 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 127.157 2.183 . . . . 0.0 108.514 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.39 141.93 49.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.529 1.132 . . . . 0.0 110.64 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.29 128.67 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.132 0.973 . . . . 0.0 109.402 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.99 -134.05 52.5 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.74 4.98 6.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.744 0.818 . . . . 0.0 112.731 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -114.73 -21.34 10.24 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.62 136.22 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.94 0.791 . . . . 0.0 111.146 -169.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -131.27 147.9 52.63 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.656 1.182 . . . . 0.0 110.012 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.4 mm -129.19 141.61 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.918 1.687 . . . . 0.0 108.031 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -138.61 128.68 25.47 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.846 0.459 . . . . 0.0 110.241 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.27 113.4 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -81.47 -32.26 32.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.943 -0.473 . . . . 0.0 111.052 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.12 -178.7 36.96 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 113.345 0.098 . . . . 0.0 113.345 170.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -113.56 155.2 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.235 0.614 . . . . 0.0 111.004 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -139.18 81.0 1.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.941 0.897 . . . . 0.0 108.907 170.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.26 -116.52 4.22 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -102.89 12.62 35.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.594 0.757 . . . . 0.0 110.703 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.02 155.92 17.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.875 0.87 . . . . 0.0 110.669 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -144.1 112.18 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.588 1.155 . . . . 0.0 108.817 -169.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.12 119.31 28.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 0.0 109.491 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.27 133.19 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.208 1.003 . . . . 0.0 109.924 -169.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.12 138.29 13.85 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.52 133.59 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.748 0.819 . . . . 0.0 109.362 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -133.06 76.87 1.71 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.416 -168.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.18 157.33 64.56 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 113.915 -1.493 . . . . 0.0 109.766 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.32 156.82 38.64 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.135 1.89 . . . . 0.0 111.199 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -68.72 -0.82 5.77 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.825 0.85 . . . . 0.0 112.237 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.79 -26.76 67.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.151 1.38 . . . . 0.0 111.284 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.45 144.07 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.461 1.105 . . . . 0.0 110.169 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.22 142.05 28.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.542 0.687 . . . . 0.0 111.182 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.71 98.25 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.92 -166.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.75 158.55 43.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.968 -0.457 . . . . 0.0 112.07 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.4 ptt-85 -64.48 156.23 30.28 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.111 0.564 . . . . 0.0 111.209 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -54.94 -41.57 71.21 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.341 0.656 . . . . 0.0 112.684 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.64 -23.11 67.24 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.06 -50.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.113 0.565 . . . . 0.0 110.601 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -47.11 -42.48 19.23 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.54 0.736 . . . . 0.0 110.925 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.46 -12.0 60.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -169.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -88.82 -36.38 16.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 119.516 1.053 . . . . 0.0 112.129 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -64.12 -61.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.196 0.998 . . . . 0.0 112.654 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.74 2.49 3.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.73 -0.606 . . . . 0.0 112.568 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.34 -19.38 60.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.316 0.646 . . . . 0.0 112.008 170.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.24 34.8 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 CA-C-O 119.321 -0.71 . . . . 0.0 114.348 169.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -166.25 -175.93 3.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.158 0.979 . . . . 0.0 112.75 -167.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.668 HG22 ' H ' ' B' ' 57' ' ' ALA . 2.9 m -133.54 -176.8 4.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.604 1.162 . . . . 0.0 109.139 169.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.668 ' H ' HG22 ' B' ' 56' ' ' THR . . . -39.52 123.91 1.43 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.069 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -41.26 -44.15 5.52 Favored 'Trans proline' 0 N--CA 1.452 -0.932 1 C-N-CA 126.025 4.484 . . . . 0.0 117.858 -168.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -167.216 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 109.93 20.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 166.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.07 134.96 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.655 0.782 . . . . 0.0 109.796 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.54 134.89 50.75 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.074 0.95 . . . . 0.0 109.263 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -89.28 143.84 26.54 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 169.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -145.97 123.89 12.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -73.56 149.94 41.81 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -56.37 136.72 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 118.84 0.746 . . . . 0.0 111.444 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -6.73 82.67 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.519 1.057 . . . . 0.0 114.411 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -87.37 172.43 9.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.222 1.511 . . . . 0.0 111.898 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -129.06 159.64 35.3 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -168.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.23 159.65 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 127.482 2.313 . . . . 0.0 108.245 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -132.56 149.15 52.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.044 0.938 . . . . 0.0 112.17 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.53 136.67 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.703 1.201 . . . . 0.0 108.963 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.58 -139.85 44.36 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.656 0.646 . . . . 0.0 111.593 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -121.56 10.0 10.34 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.084 0.953 . . . . 0.0 112.095 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.55 -14.46 7.78 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.92 137.59 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.003 0.82 . . . . 0.0 111.465 -169.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -123.05 138.99 54.53 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.75 1.22 . . . . 0.0 109.336 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -118.11 139.55 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.803 1.241 . . . . 0.0 108.359 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -134.03 129.0 35.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.92 -0.488 . . . . 0.0 110.389 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 tp -83.35 120.91 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.33 -39.39 10.06 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -172.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.47 179.69 43.45 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.746 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.36 151.81 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.296 0.639 . . . . 0.0 110.21 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -149.36 96.99 2.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.83 -139.86 24.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -168.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.6 2.05 39.2 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.927 0.491 . . . . 0.0 111.319 167.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 148.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.209 1.004 . . . . 0.0 110.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.32 114.17 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -82.51 112.81 19.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.4 136.44 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.028 1.331 . . . . 0.0 109.61 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.61 138.62 14.5 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 124.344 0.973 . . . . 0.0 111.569 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -126.26 118.88 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 124.359 1.064 . . . . 0.0 108.688 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -119.16 97.78 5.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.984 0.514 . . . . 0.0 110.171 -173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.69 157.19 72.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.465 1.106 . . . . 0.0 110.123 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.32 151.09 84.58 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 122.669 2.246 . . . . 0.0 111.087 171.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.18 -0.94 2.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.414 0.685 . . . . 0.0 112.644 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.89 -22.78 66.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.348 1.059 . . . . 0.0 111.424 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.48 147.65 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.229 1.012 . . . . 0.0 110.49 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.6 156.84 19.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.638 0.375 . . . . 0.0 111.364 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 m -138.3 131.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.302 0.641 . . . . 0.0 109.68 171.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -157.0 160.66 39.23 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.026 0.531 . . . . 0.0 112.088 -173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -70.3 153.2 43.31 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.69 -31.91 72.89 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.997 0.817 . . . . 0.0 111.738 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.08 -22.32 63.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.06 -35.6 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.566 0.746 . . . . 0.0 110.451 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.77 -32.79 60.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.994 0.918 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.87 -25.3 68.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -69.45 -37.66 77.43 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.233 0.613 . . . . 0.0 111.311 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.456 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.4 mp -68.43 -19.0 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 O-C-N 122.11 -0.369 . . . . 0.0 110.045 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -94.2 -0.44 55.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.907 0.883 . . . . 0.0 112.94 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -4.81 59.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.676 0.791 . . . . 0.0 113.061 -174.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.89 -129.33 1.68 Allowed Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' C' ' 51' ' ' ILE . 18.8 mt 62.78 20.93 12.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.744 1.217 . . . . 0.0 113.313 169.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.5 p -77.27 -16.56 58.94 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.928 0.891 . . . . 0.0 112.277 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.73 139.0 34.06 Favored Pre-proline 0 N--CA 1.451 -0.388 0 C-N-CA 124.289 1.036 . . . . 0.0 110.035 169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -64.39 175.68 3.23 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.18 2.586 . . . . 0.0 113.004 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 123.888 0.875 . . . . 0.0 112.489 177.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.61 112.19 20.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.865 1.666 . . . . 0.0 107.863 168.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.571 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -100.2 140.93 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.621 1.168 . . . . 0.0 109.746 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -155.48 156.61 35.56 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.862 0.865 . . . . 0.0 110.984 172.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.3 145.57 24.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.437 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.2 OUTLIER -136.24 144.24 44.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.69 0.796 . . . . 0.0 109.139 167.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -80.91 158.71 25.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -61.0 133.39 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.245 0.545 . . . . 0.0 111.254 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.25 -0.97 81.99 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.988 0.804 . . . . 0.0 113.739 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.66 167.62 12.77 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.6 1.2 . . . . 0.0 112.093 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -122.18 161.83 22.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -168.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.437 HD11 ' HG3' ' D' ' 6' ' ' ARG . 73.9 mt -150.28 162.0 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 128.109 2.563 . . . . 0.0 108.075 -168.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -143.09 152.98 42.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.935 0.894 . . . . 0.0 112.567 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -134.94 140.57 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.787 1.235 . . . . 0.0 109.196 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.61 50.2 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -126.16 9.97 7.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.116 0.966 . . . . 0.0 111.565 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -135.22 -13.33 2.09 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.29 137.23 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 118.753 0.706 . . . . 0.0 110.416 -171.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 49.5 m -117.58 145.12 44.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.189 0.996 . . . . 0.0 109.409 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -128.75 144.25 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.87 1.268 . . . . 0.0 107.75 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -137.73 138.96 39.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . 0.407 HD11 HG13 ' D' ' 30' ' ' VAL . 0.0 OUTLIER -95.26 105.59 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 169.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 mt -78.96 -33.57 45.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.463 -0.773 . . . . 0.0 111.203 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.31 -175.08 44.36 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 118.065 0.393 . . . . 0.0 113.058 169.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.7 158.18 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.163 0.585 . . . . 0.0 111.238 169.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -144.12 79.93 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.091 0.956 . . . . 0.0 109.478 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -116.9 4.32 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mt-30 -90.59 -8.45 50.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.612 0.765 . . . . 0.0 110.604 172.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -79.81 159.36 26.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.671 0.748 . . . . 0.0 112.356 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.407 HG13 HD11 ' D' ' 22' ' ' ILE . 16.5 t -133.92 125.27 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 125.303 1.441 . . . . 0.0 108.487 169.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -79.61 114.49 18.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 167.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.47 125.03 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.48 134.11 11.62 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.14 140.42 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.828 0.851 . . . . 0.0 108.923 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -138.05 89.94 2.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.356 0.663 . . . . 0.0 109.239 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.13 67.16 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.463 1.105 . . . . 0.0 109.396 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.32 150.52 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 121.805 1.67 . . . . 0.0 110.274 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -64.5 -0.99 1.53 Allowed 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.43 0.692 . . . . 0.0 112.374 169.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.84 -24.57 66.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.102 1.361 . . . . 0.0 111.248 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.58 159.3 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.456 1.103 . . . . 0.0 110.67 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.13 157.04 16.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 112.255 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.18 125.0 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 168.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -148.76 165.86 30.17 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.212 0.605 . . . . 0.0 111.469 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.3 156.53 28.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.105 0.562 . . . . 0.0 110.158 168.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.74 -38.67 85.93 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.492 0.587 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pm0 -69.03 -19.72 64.11 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mm -92.83 -40.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.93 0.892 . . . . 0.0 111.1 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -46.37 -38.08 8.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.32 1.448 . . . . 0.0 111.894 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.57 -25.45 68.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.586 1.154 . . . . 0.0 113.617 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.25 -48.51 34.26 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 119.132 0.878 . . . . 0.0 109.818 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp -62.01 -34.67 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.902 0.481 . . . . 0.0 110.243 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.486 HE22 HG22 ' D' ' 51' ' ' ILE . 1.4 mm-40 -82.6 0.41 43.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.902 0.481 . . . . 0.0 111.685 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.27 -7.9 59.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.216 1.006 . . . . 0.0 112.212 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.12 45.92 0.44 Allowed Glycine 0 CA--C 1.525 0.697 0 CA-C-O 119.484 -0.62 . . . . 0.0 114.236 169.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -162.68 176.4 10.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.111 0.956 . . . . 0.0 112.116 -169.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -147.7 94.81 2.41 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.54 1.136 . . . . 0.0 108.697 167.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.406 ' HB2' " H2'" ' G' ' 7' ' ' ' C' . . . 42.04 82.95 0.21 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 126.221 1.809 . . . . 0.0 114.012 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -62.69 169.69 8.17 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.553 2.835 . . . . 0.0 114.178 -172.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.455 -0.225 0 C-N-CA 124.365 1.066 . . . . 0.0 112.702 178.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ttt . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 106.822 -1.548 . . . . 0.0 106.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tt -100.93 125.0 47.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 121.637 2.017 . . . . 0.0 110.531 170.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.09 134.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.901 1.28 . . . . 0.0 108.74 -170.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -138.44 164.69 28.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.624 1.169 . . . . 0.0 111.15 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.17 98.24 4.36 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 168.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -105.04 132.34 51.4 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.514 1.526 . . . . 0.0 111.745 -169.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -80.54 157.2 26.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.573 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -61.25 136.03 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.292 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.11 -2.75 84.08 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.06 0.838 . . . . 0.0 114.249 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.04 168.18 10.77 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.842 1.321 . . . . 0.0 111.487 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -129.34 159.84 34.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -137.72 158.1 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 126.902 2.081 . . . . 0.0 107.852 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -136.59 148.66 47.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 112.804 -174.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -137.71 137.11 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.658 1.183 . . . . 0.0 109.061 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -137.67 49.53 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.39 10.06 7.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.881 0.873 . . . . 0.0 112.46 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -126.89 -12.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.43 136.24 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.153 0.888 . . . . 0.0 111.268 -169.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -126.27 141.23 52.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.706 1.203 . . . . 0.0 109.809 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -120.47 142.03 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.236 1.415 . . . . 0.0 108.06 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.0 m -137.98 127.85 25.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.709 0.404 . . . . 0.0 109.946 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.26 106.45 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.75 -31.87 59.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 110.605 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.2 -177.56 34.0 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 122.961 0.315 . . . . 0.0 113.557 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.44 155.87 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.737 0.815 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.27 89.97 1.77 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.493 1.117 . . . . 0.0 109.333 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.71 -112.13 4.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.29 -22.93 20.31 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.511 0.655 . . . . 0.0 111.611 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -73.66 146.53 44.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.387 0.613 . . . . 0.0 110.113 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 t -137.39 117.21 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -88.04 124.35 33.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.45 127.63 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.778 0.831 . . . . 0.0 110.323 -168.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.6 140.18 15.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.137 0.875 . . . . 0.0 111.497 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.82 119.15 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.025 1.33 . . . . 0.0 108.721 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -122.24 99.0 6.19 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.08 0.552 . . . . 0.0 109.595 -171.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.56 155.76 73.49 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.435 1.094 . . . . 0.0 110.445 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.97 159.46 33.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -68.47 -0.97 5.6 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 123.483 0.713 . . . . 0.0 112.675 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.83 -24.47 67.56 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.883 1.273 . . . . 0.0 111.565 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.3 153.51 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.318 1.047 . . . . 0.0 110.509 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.92 157.46 18.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.51 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.79 128.85 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 122.753 0.421 . . . . 0.0 110.293 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -148.13 167.87 23.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.765 1.226 . . . . 0.0 109.051 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -72.44 159.19 34.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.263 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.81 -18.92 65.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.048 0.539 . . . . 0.0 111.948 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.69 -51.22 68.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.948 0.899 . . . . 0.0 112.113 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -75.31 -35.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 123.534 0.734 . . . . 0.0 109.796 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -54.99 -36.19 65.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 112.149 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -72.29 -21.94 61.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -74.62 -27.64 60.54 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.098 0.559 . . . . 0.0 110.815 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 79.4 mt -90.93 -36.67 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.948 1.299 . . . . 0.0 110.166 -172.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -80.1 3.07 21.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.756 1.222 . . . . 0.0 113.434 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 4.0 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.953 1.301 . . . . 0.0 114.509 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.79 40.5 1.31 Allowed Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.694 -0.629 . . . . 0.0 112.323 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.65 -55.63 0.18 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -170.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m 49.41 25.72 1.41 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.982 1.313 . . . . 0.0 113.011 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.65 127.44 2.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.827 1.251 . . . . 0.0 109.504 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.9 141.94 44.36 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.113 2.542 . . . . 0.0 113.365 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 124.983 1.313 . . . . 0.0 114.366 169.472 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 119.876 -0.107 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.12 151.05 20.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.048 -0.408 . . . . 0.0 111.542 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.85 124.55 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 168.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . 0.406 HD13 ' C2 ' ' G' ' 38' ' ' ' A' . 4.0 mm? -113.09 154.26 26.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.161 1.784 . . . . 0.0 108.996 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 105.76 10.81 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 168.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 128.38 56.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.047 1.339 . . . . 0.0 109.981 -169.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -93.52 164.82 13.03 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.204 0.911 . . . . 0.0 112.624 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -57.9 135.53 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.56 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.3 -4.08 80.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 114.156 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -97.03 169.8 9.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.548 1.174 . . . . 0.0 111.575 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.93 166.71 22.7 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -169.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -145.63 150.47 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 126.939 2.095 . . . . 0.0 108.362 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.84 47.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.39 0.541 . . . . 0.0 112.307 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -135.59 137.18 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.316 1.446 . . . . 0.0 109.033 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.53 -132.77 47.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -122.98 5.29 9.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.786 0.834 . . . . 0.0 112.008 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -141.13 -18.54 0.81 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.93 127.36 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 119.339 0.972 . . . . 0.0 110.268 -173.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -118.34 137.6 52.98 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.587 0.755 . . . . 0.0 110.07 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mm -117.06 143.07 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.041 1.336 . . . . 0.0 108.407 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -137.91 131.41 30.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.464 0.706 . . . . 0.0 109.853 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.59 110.72 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -82.39 -28.28 31.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.396 0.678 . . . . 0.0 110.914 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.18 -176.9 33.47 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 123.73 0.681 . . . . 0.0 112.908 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.56 147.66 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.313 0.645 . . . . 0.0 111.369 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -137.52 89.84 2.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.506 1.122 . . . . 0.0 108.366 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.73 -119.16 11.41 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.1 -17.9 38.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.658 0.783 . . . . 0.0 112.528 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 146.11 29.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.431 0.634 . . . . 0.0 110.175 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.84 123.04 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -87.88 120.91 29.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.08 143.09 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 124.138 0.975 . . . . 0.0 110.162 -168.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 141.75 14.47 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 124.177 0.894 . . . . 0.0 111.865 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.25 131.73 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.866 1.267 . . . . 0.0 109.194 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -127.37 106.42 9.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.09 0.956 . . . . 0.0 109.193 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.7 157.06 77.77 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.796 0.839 . . . . 0.0 111.713 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.49 161.1 39.73 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 123.083 2.522 . . . . 0.0 112.08 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -71.18 -4.29 24.75 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.26 0.624 . . . . 0.0 112.642 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.58 -20.51 63.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.737 1.215 . . . . 0.0 112.512 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -125.89 164.34 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.671 0.789 . . . . 0.0 111.394 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.52 162.56 13.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.378 0.671 . . . . 0.0 111.444 170.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 127.0 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.342 0.657 . . . . 0.0 110.121 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -153.38 172.12 17.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.275 1.03 . . . . 0.0 110.14 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.42 162.67 27.03 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.725 -0.609 . . . . 0.0 109.809 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -60.58 -29.67 69.33 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.73 -43.15 76.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.165 0.986 . . . . 0.0 111.922 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -90.99 -31.75 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.192 0.997 . . . . 0.0 110.276 -172.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -50.57 -33.2 20.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.376 1.07 . . . . 0.0 112.808 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.33 -21.84 60.38 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.667 1.187 . . . . 0.0 112.831 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -77.87 -22.69 49.43 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 126.106 1.762 . . . . 0.0 112.652 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.63 -62.19 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.233 1.013 . . . . 0.0 112.882 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' F' ' 52' ' ' GLN . 0.0 OUTLIER -84.95 2.96 40.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -168.469 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.18 4.11 3.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.29 28.36 4.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.848 1.213 . . . . 0.0 111.453 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 mt -125.29 -164.26 1.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.181 1.392 . . . . 0.0 109.399 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 67.69 -14.73 0.21 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.423 1.489 . . . . 0.0 113.624 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.58 96.7 23.12 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 125.019 1.328 . . . . 0.0 109.544 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -67.61 -179.81 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.147 2.565 . . . . 0.0 113.612 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 124.436 1.094 . . . . 0.0 112.612 176.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 O4'-C1'-N19 111.428 3.228 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.467 3.267 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.696 4.496 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.909 3.709 . 0.213 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.442 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C5'-C4'-C3' 110.176 -3.549 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.442 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 109.306 -4.129 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.406 " H2'" ' HB2' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-C3' 110.215 -3.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C3'-C2'-C1' 104.228 3.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O5'-C5'-C4' 113.38 2.272 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C5'-C4'-C3' 110.14 -3.573 . 0.073 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 0 O5'-C5'-C4' 114.367 2.976 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.456 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C5'-C4'-C3' 111.764 -2.491 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 C5'-C4'-C3' 108.264 -4.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 C4'-C3'-C2' 99.536 -3.164 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 111.59 3.39 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 O4'-C1'-N19 110.847 2.647 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 112.942 -1.705 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 113.588 5.388 . 0.526 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 1 C1'-O4'-C4' 104.842 -5.286 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.822 4.622 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 1 O4'-C1'-N19 112.584 4.384 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.077 -2.623 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.476 4.276 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 112.089 3.889 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 N19-C1'-C2' 109.082 -2.699 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.225 3.025 . 0.539 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.114 -2.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C5'-C4'-C3' 112.349 -2.101 . 0.047 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-C3' 111.13 -2.913 OUTLIER-DELTA 0.019 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 O4'-C1'-N19 111.236 3.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C4'-C3'-C2' 100.352 -2.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.15 2.95 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 O4'-C1'-N19 112.42 4.22 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 C3'-C2'-C1' 105.182 4.091 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.957 4.757 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 1 O4'-C1'-N19 112.57 4.37 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 110.835 -3.11 . 0.62 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.406 ' C2 ' HD13 ' F' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C5'-C4'-C3' 111.331 -2.779 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C3'-C2'-C1' 103.606 2.34 . 0.227 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 113.287 5.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.392 1 C5'-C4'-C3' 108.785 -4.477 . 0.047 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 O4'-C1'-N19 112.317 4.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.438 0 O4'-C1'-N19 112.087 3.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.607 3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.497 4.297 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . 0.41 ' OP2' ' HE3' ' B' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.433 -3.267 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.253 3.053 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 C3'-C2'-C1' 105.909 4.899 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 105.042 3.936 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.157 2.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C3'-C2'-C1' 103.788 2.542 . 0.485 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 1 O5'-C5'-C4' 116.614 4.581 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 111.797 -2.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 O4'-C1'-N19 112.173 3.973 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.073 -2.627 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.137 2.937 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.744 4.544 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 1 O4'-C1'-N19 113.675 5.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 112.176 3.976 . 0.143 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 0 O4'-C1'-N19 111.142 2.942 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 111.442 3.242 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.045 2.828 . 0.446 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C3'-C2'-C1' 105.064 3.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C4'-C3'-C2' 99.834 -2.866 . 0.094 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 110.427 2.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C5'-C4'-C3' 111.915 -2.39 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 2 C5'-C4'-C3' 106.218 -6.188 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.416 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.368 1 P-O3'-C3' 125.732 5.027 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.009 -2.691 . 0.928 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O4'-C1'-N19 112.06 3.86 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.078 2.878 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 110.58 23.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.491 0.716 . . . . 0.0 109.207 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.09 130.22 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.78 160.26 33.99 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.345 1.058 . . . . 0.0 109.795 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.5 m -123.71 128.91 50.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.6 171.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.775 0.83 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -133.75 157.09 46.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.64 118.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-O 120.531 0.205 . . . . 0.0 110.625 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.97 -5.39 50.25 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.575 1.083 . . . . 0.0 114.838 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -94.85 168.67 10.66 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.045 1.423 . . . . 0.0 112.229 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -139.92 154.29 47.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.62 156.32 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 125.984 1.714 . . . . 0.0 109.438 170.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.21 139.94 52.94 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.49 1.116 . . . . 0.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.2 mt -133.99 131.74 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.169 0.988 . . . . 0.0 109.494 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.62 -131.77 34.74 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 5.04 4.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.898 0.879 . . . . 0.0 112.912 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -127.2 -24.86 3.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -100.1 138.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 118.759 0.709 . . . . 0.0 110.539 -169.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.66 146.05 45.51 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.7 0.8 . . . . 0.0 109.591 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -127.6 140.76 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.705 1.202 . . . . 0.0 108.304 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -138.21 136.11 36.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.471 0.578 . . . . 0.0 110.36 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -85.53 100.62 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.64 -31.35 63.46 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.155 -0.34 . . . . 0.0 110.128 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.5 -170.69 43.24 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 122.997 0.332 . . . . 0.0 112.938 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.2 158.47 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.561 0.745 . . . . 0.0 111.98 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -140.38 70.1 1.36 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.968 1.307 . . . . 0.0 109.823 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.69 -118.66 5.82 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.35 -6.15 52.23 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.416 0.686 . . . . 0.0 111.609 173.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.95 157.88 16.02 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.926 0.869 . . . . 0.0 112.627 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.0 t -143.09 125.5 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 126.709 2.004 . . . . 0.0 107.939 -169.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -110.24 101.99 10.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.383 0.611 . . . . 0.0 110.622 -172.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.0 mt -106.63 135.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.563 1.545 . . . . 0.0 109.611 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.28 139.55 14.86 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 123.806 0.717 . . . . 0.0 111.532 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.98 133.98 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.293 1.437 . . . . 0.0 108.156 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -122.06 75.0 1.19 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.6 1.16 . . . . 0.0 109.206 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.35 153.82 42.53 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 125.102 1.361 . . . . 0.0 110.805 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.41 153.9 55.68 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.6 2.2 . . . . 0.0 110.497 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.6 -4.15 14.35 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.09 -25.41 64.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.961 0.904 . . . . 0.0 112.135 169.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.87 144.07 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.727 0.775 . . . . 0.0 111.505 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.47 143.05 29.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.888 0.875 . . . . 0.0 110.707 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -131.67 128.79 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 122.647 0.379 . . . . 0.0 110.413 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -150.32 -175.9 5.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.696 1.198 . . . . 0.0 109.714 -172.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -129.12 167.46 17.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 171.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.02 -37.58 83.06 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -71.43 -5.82 35.67 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -119.21 -26.88 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.994 1.318 . . . . 0.0 111.09 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.27 -30.73 71.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.481 -0.762 . . . . 0.0 110.334 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.29 -13.78 60.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.791 0.837 . . . . 0.0 111.552 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.2 -34.3 32.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.645 1.178 . . . . 0.0 110.748 169.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.648 HG22 HE21 ' A' ' 52' ' ' GLN . 32.3 mt -63.48 -53.65 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.648 HE21 HG22 ' A' ' 51' ' ' ILE . 69.2 mm-40 -84.03 5.08 27.18 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.882 0.873 . . . . 0.0 112.59 -175.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.08 63.31 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.487 0.315 . . . . 0.0 111.18 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.74 2.85 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.287 -0.729 . . . . 0.0 113.219 172.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 56' ' ' THR . 12.8 mt -85.6 90.53 8.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 118.799 1.299 . . . . 0.0 107.621 -174.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 55' ' ' LEU . 2.2 p 151.01 -27.91 0.01 OUTLIER 'General case' 0 C--O 1.23 0.058 0 C-N-CA 128.035 2.534 . . . . 0.0 110.511 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 153.14 39.87 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.369 1.068 . . . . 0.0 113.862 -167.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -70.19 -179.75 3.33 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.114 2.543 . . . . 0.0 112.662 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.727 1.211 . . . . 0.0 111.0 -173.561 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -110.46 121.93 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.11 139.8 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 122.804 0.442 . . . . 0.0 111.56 -166.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.1 mt -135.52 135.03 40.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.266 1.027 . . . . 0.0 111.117 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.461 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 26.2 m -94.37 121.54 36.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.84 160.54 24.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.329 1.452 . . . . 0.0 109.028 -170.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -120.23 163.01 18.42 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 119.215 0.916 . . . . 0.0 111.122 167.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -62.66 125.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 121.383 0.611 . . . . 0.0 110.464 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.63 -4.59 58.09 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-O 118.812 -0.994 . . . . 0.0 115.083 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.92 166.38 13.98 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.407 1.603 . . . . 0.0 111.447 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -129.87 153.99 47.75 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.727 0.811 . . . . 0.0 112.324 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 19.4 mt -131.38 154.41 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.539 1.936 . . . . 0.0 109.43 -175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -135.63 139.65 43.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.728 -0.607 . . . . 0.0 111.705 -173.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -133.07 128.23 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.344 1.058 . . . . 0.0 109.505 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -135.12 52.08 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.09 4.9 6.45 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.793 0.837 . . . . 0.0 112.775 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.78 -21.3 11.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.66 135.26 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.847 0.749 . . . . 0.0 111.283 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -130.21 149.26 51.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.919 1.288 . . . . 0.0 109.652 170.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.49 146.46 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.764 1.625 . . . . 0.0 108.002 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -138.64 132.38 30.84 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.078 -0.389 . . . . 0.0 110.257 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.409 HG22 ' H ' ' B' ' 22' ' ' ILE . 1.1 tp -85.42 96.74 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.63 -31.81 71.22 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.933 -0.479 . . . . 0.0 111.133 -174.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.87 -174.58 37.52 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 113.399 0.12 . . . . 0.0 113.399 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -114.72 152.03 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.246 0.618 . . . . 0.0 110.961 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -132.91 77.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.87 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -115.8 4.09 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.448 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.23 16.7 24.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.237 0.541 . . . . 0.0 111.488 171.065 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -99.01 159.08 15.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.41 1.084 . . . . 0.0 109.63 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.19 118.6 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.415 1.086 . . . . 0.0 109.498 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.29 123.65 36.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.046 1.338 . . . . 0.0 109.608 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.0 131.06 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.052 0.941 . . . . 0.0 110.324 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.18 138.71 14.18 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.9 131.4 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.842 0.83 . . . . 0.0 109.543 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 74.97 1.6 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.495 -1.229 . . . . 0.0 109.505 -168.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.16 157.15 51.64 Favored Pre-proline 0 N--CA 1.449 -0.493 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.357 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.33 155.35 41.26 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.732 1.621 . . . . 0.0 109.825 168.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -0.84 11.2 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.879 0.847 . . . . 0.0 111.136 174.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.71 -25.36 67.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.301 1.84 . . . . 0.0 111.257 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.65 144.08 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.456 1.102 . . . . 0.0 109.999 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.88 141.63 30.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.663 0.744 . . . . 0.0 111.487 170.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 t -143.55 99.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.509 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 156.95 44.44 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.234 0.54 . . . . 0.0 112.335 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -62.53 153.15 32.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.616 0.766 . . . . 0.0 111.011 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -55.26 -40.01 70.46 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.098 0.559 . . . . 0.0 112.421 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -64.97 -17.0 64.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -91.63 -50.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.047 0.939 . . . . 0.0 110.592 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -51.22 -36.25 40.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.299 1.04 . . . . 0.0 111.857 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -70.73 -20.78 62.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -80.59 -39.93 26.68 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.481 1.037 . . . . 0.0 110.33 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.504 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.2 mt -63.15 -40.77 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -176.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.504 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.3 mm-40 -80.45 5.0 16.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 173.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.73 -20.79 38.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 111.75 169.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.36 45.74 0.07 OUTLIER Glycine 0 C--N 1.339 0.699 0 CA-C-O 119.312 -0.716 . . . . 0.0 114.711 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.05 -176.08 2.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.065 0.933 . . . . 0.0 113.021 -168.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.8 p -126.55 -179.15 4.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.552 1.541 . . . . 0.0 109.23 167.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.44 123.88 2.84 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.37 1.068 . . . . 0.0 112.093 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -65.39 175.86 3.81 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.513 2.142 . . . . 0.0 114.247 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.017 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.07 19.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.465 1.106 . . . . 0.0 108.291 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.88 133.49 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.933 0.893 . . . . 0.0 109.468 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.07 140.54 50.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.292 1.037 . . . . 0.0 110.011 169.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -100.55 140.37 34.91 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.586 0.355 . . . . 0.0 110.842 169.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.64 140.03 42.47 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.559 0.744 . . . . 0.0 110.75 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.2 tptm -76.51 153.64 35.31 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.33 133.66 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.159 0.89 . . . . 0.0 111.462 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.22 -3.47 79.99 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.723 1.154 . . . . 0.0 114.305 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -88.11 177.24 6.97 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.421 1.61 . . . . 0.0 112.51 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -138.6 158.43 44.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -167.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -139.91 158.74 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 128.006 2.523 . . . . 0.0 108.031 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -131.68 149.92 52.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.164 0.986 . . . . 0.0 112.108 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -134.55 136.41 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 108.992 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.65 41.32 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.756 0.694 . . . . 0.0 111.558 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.14 10.05 10.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.274 1.03 . . . . 0.0 111.74 169.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -120.61 -16.17 8.33 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.551 1.14 . . . . 0.0 113.144 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.95 139.22 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 118.965 0.802 . . . . 0.0 111.773 -169.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -125.08 143.05 51.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.893 1.277 . . . . 0.0 109.449 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mm -123.75 140.84 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.182 1.393 . . . . 0.0 108.361 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -136.37 135.88 39.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.796 0.438 . . . . 0.0 110.685 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.06 112.93 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 167.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.4 HD13 " H1'" ' G' ' 67' ' ' ' C' . 11.4 mt -84.8 -37.66 20.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.867 -0.521 . . . . 0.0 110.167 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -174.54 43.0 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.112 169.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.03 154.22 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.583 0.753 . . . . 0.0 110.932 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -146.49 100.15 3.31 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.767 1.227 . . . . 0.0 108.997 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.85 -120.02 17.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -170.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.38 1.74 47.23 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.934 0.893 . . . . 0.0 111.823 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 26.4 mt-30 -91.69 156.34 17.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.858 0.837 . . . . 0.0 111.767 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.14 123.85 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.92 1.288 . . . . 0.0 108.389 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -83.13 115.89 22.1 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 169.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.74 122.82 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.062 1.345 . . . . 0.0 109.563 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 138.85 15.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 125.117 1.342 . . . . 0.0 111.712 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.0 mt -132.82 135.02 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -137.98 92.04 2.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.66 156.19 79.76 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.03 0.932 . . . . 0.0 110.379 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.6 152.75 76.01 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.578 2.185 . . . . 0.0 111.053 170.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.45 -1.19 4.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.91 -19.73 65.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.795 1.238 . . . . 0.0 111.372 168.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.18 149.4 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.072 0.949 . . . . 0.0 110.774 172.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 156.39 20.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.103 0.561 . . . . 0.0 111.419 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.0 131.02 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 110.032 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -157.01 165.03 37.29 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 123.482 0.713 . . . . 0.0 111.701 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -77.64 160.69 28.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 166.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.34 -28.79 70.0 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.236 0.615 . . . . 0.0 112.003 -172.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.17 -45.84 83.32 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.042 0.937 . . . . 0.0 111.305 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -90.88 -29.24 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.74 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.637 ' HA ' HD13 ' C' ' 51' ' ' ILE . 40.3 t80 -48.83 -38.99 23.82 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.302 0.641 . . . . 0.0 111.73 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -52.67 -20.84 3.38 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 126.623 1.969 . . . . 0.0 114.172 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -87.22 -38.49 16.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp -49.57 -42.7 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.44 1.496 . . . . 0.0 112.72 -168.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -105.0 2.01 29.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 126.623 1.969 . . . . 0.0 109.912 -168.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.04 -17.6 36.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.347 1.859 . . . . 0.0 112.956 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.07 125.24 4.99 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -168.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.38 157.9 16.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.273 0.629 . . . . 0.0 111.902 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -93.9 148.68 21.91 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.846 0.858 . . . . 0.0 111.176 174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.4 70.73 1.62 Allowed Pre-proline 0 N--CA 1.455 -0.214 0 C-N-CA 125.552 1.541 . . . . 0.0 113.427 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -65.34 172.1 8.22 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.972 2.448 . . . . 0.0 113.668 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 124.284 1.033 . . . . 0.0 112.771 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -122.62 114.84 21.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.45 1.5 . . . . 0.0 107.325 166.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.16 124.81 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.812 1.245 . . . . 0.0 108.662 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -112.42 169.17 9.06 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.419 1.088 . . . . 0.0 110.339 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -136.61 109.89 7.84 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.918 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -126.79 149.05 49.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.763 0.825 . . . . 0.0 111.081 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 15.1 mmtp -75.78 160.96 29.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 111.657 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.82 139.67 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.15 0.58 . . . . 0.0 111.622 169.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.64 -3.78 86.67 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.421 1.01 . . . . 0.0 113.798 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -87.79 169.8 11.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.979 1.389 . . . . 0.0 112.809 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -128.05 154.47 45.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.938 0.895 . . . . 0.0 112.349 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -146.26 158.94 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 127.234 2.214 . . . . 0.0 108.263 -170.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -137.99 152.32 48.78 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.298 -0.876 . . . . 0.0 112.747 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.83 138.02 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.985 1.314 . . . . 0.0 108.962 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -135.17 51.95 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.39 10.02 5.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.103 0.961 . . . . 0.0 112.422 172.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -125.15 -14.83 6.46 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.94 138.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 118.903 0.774 . . . . 0.0 111.027 -169.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -122.96 146.81 47.28 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.529 1.132 . . . . 0.0 109.769 174.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.04 141.67 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.59 1.556 . . . . 0.0 107.949 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -139.46 131.14 27.33 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -88.25 109.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 169.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -83.14 -28.55 29.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.366 0.666 . . . . 0.0 110.7 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.48 -174.06 38.82 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 122.662 0.172 . . . . 0.0 112.816 169.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.04 160.24 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 122.891 0.476 . . . . 0.0 110.888 169.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.1 m -146.68 76.32 1.43 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.646 1.178 . . . . 0.0 108.916 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -120.14 5.88 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.473 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.1 mp0 -89.38 -11.66 42.58 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 110.915 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.07 151.22 28.45 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.638 0.732 . . . . 0.0 111.221 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.64 128.9 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.941 1.297 . . . . 0.0 107.568 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -96.83 115.25 27.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.032 0.933 . . . . 0.0 108.89 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.78 124.49 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.432 0.693 . . . . 0.0 110.335 -168.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.84 141.14 15.9 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.821 1.201 . . . . 0.0 110.922 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -134.44 135.51 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -138.04 89.93 2.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -171.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.98 155.82 54.99 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.636 1.174 . . . . 0.0 109.524 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.54 150.28 86.02 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.032 1.821 . . . . 0.0 110.524 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.67 -1.12 6.21 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.68 -23.19 66.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.903 1.281 . . . . 0.0 111.54 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -124.07 160.0 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.263 1.025 . . . . 0.0 110.716 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.09 16.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.28 0.632 . . . . 0.0 112.336 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.69 127.44 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 O-C-N 121.928 -0.483 . . . . 0.0 110.216 168.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.08 166.58 30.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.81 . . . . 0.0 111.541 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.77 156.67 19.8 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.33 -36.93 79.08 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.656 -0.652 . . . . 0.0 111.507 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.85 -21.51 66.02 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.11 -38.23 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.253 1.021 . . . . 0.0 111.102 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -47.29 -38.38 12.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.157 1.383 . . . . 0.0 111.849 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.81 -24.93 67.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.632 1.173 . . . . 0.0 113.506 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 3.4 mpt_? -73.51 -48.05 36.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 119.181 0.901 . . . . 0.0 109.694 172.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.516 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp -62.2 -34.05 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 122.964 0.505 . . . . 0.0 110.354 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.485 HE22 HG22 ' D' ' 51' ' ' ILE . 1.1 mm-40 -81.93 -0.8 45.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.941 0.497 . . . . 0.0 111.703 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -84.22 -6.43 59.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.408 1.083 . . . . 0.0 112.198 169.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.45 47.96 0.52 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 119.556 -0.58 . . . . 0.0 114.147 169.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -163.1 176.9 9.58 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.055 0.928 . . . . 0.0 112.341 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -150.06 92.78 1.93 Allowed 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 125.296 1.438 . . . . 0.0 108.783 167.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.83 81.92 0.24 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 126.004 1.722 . . . . 0.0 113.662 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.16 170.05 6.9 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.438 2.759 . . . . 0.0 114.185 -173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 124.433 1.093 . . . . 0.0 112.687 179.044 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ttt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -105.14 130.4 53.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 121.074 1.761 . . . . 0.0 110.38 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.91 139.2 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.162 0.985 . . . . 0.0 109.254 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.53 164.52 27.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.379 1.472 . . . . 0.0 110.684 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -125.81 99.05 5.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 130.44 53.09 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.86 1.264 . . . . 0.0 110.944 -170.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.83 159.21 18.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.155 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.06 136.06 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.688 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.75 -2.98 80.92 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.117 0.865 . . . . 0.0 114.341 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -97.38 173.74 7.04 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.641 1.221 . . . . 0.0 111.543 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -134.18 158.73 42.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -133.07 155.2 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 126.73 2.012 . . . . 0.0 107.688 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.94 144.63 43.53 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.505 -0.747 . . . . 0.0 111.805 -169.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 54.0 mt -137.15 136.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.399 1.08 . . . . 0.0 109.417 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.39 -136.89 50.64 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -126.83 10.0 7.01 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.931 0.892 . . . . 0.0 112.445 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -128.28 -12.76 5.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 134.62 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 119.186 0.903 . . . . 0.0 111.009 -170.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 58.2 m -131.42 144.15 50.98 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.328 1.051 . . . . 0.0 110.275 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -120.77 142.99 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.898 1.679 . . . . 0.0 107.838 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -136.05 125.91 25.77 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.902 0.481 . . . . 0.0 109.992 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -78.86 106.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.91 -30.16 56.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.972 -0.455 . . . . 0.0 110.911 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 -174.52 34.9 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.017 0.342 . . . . 0.0 113.667 170.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.13 157.64 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 C-N-CA 123.622 0.769 . . . . 0.0 112.27 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -150.05 91.0 1.73 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.24 -112.67 4.29 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 121.681 -0.637 . . . . 0.0 111.719 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -92.24 -18.0 24.03 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.745 0.773 . . . . 0.0 111.448 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -74.8 144.58 43.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.644 0.735 . . . . 0.0 110.091 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -141.12 110.66 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -87.5 125.97 34.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.98 133.15 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.157 0.583 . . . . 0.0 110.509 -168.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.63 145.32 17.68 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.568 1.08 . . . . 0.0 111.702 173.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.84 124.92 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.864 1.266 . . . . 0.0 108.926 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -124.51 100.09 6.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.385 0.674 . . . . 0.0 109.424 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.64 155.24 71.65 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -63.29 158.77 42.87 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.093 2.529 . . . . 0.0 112.137 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -72.63 -1.03 14.61 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.28 -21.06 66.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.327 1.051 . . . . 0.0 111.396 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -125.57 159.39 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 110.647 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.77 16.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.32 125.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.098 0.559 . . . . 0.0 110.668 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -151.81 166.55 31.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.264 1.026 . . . . 0.0 110.874 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -72.43 155.86 39.67 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -58.91 -29.61 67.18 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.709 0.404 . . . . 0.0 111.8 -172.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.46 -51.6 68.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.439 1.095 . . . . 0.0 111.94 170.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -74.9 -33.26 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.839 1.256 . . . . 0.0 109.972 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.06 -37.18 68.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.713 0.805 . . . . 0.0 112.138 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.14 -25.76 64.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.175 0.59 . . . . 0.0 112.567 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.19 -26.64 63.04 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.012 0.525 . . . . 0.0 110.391 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' E' ' 55' ' ' LEU . 93.6 mt -92.73 -42.67 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.444 1.098 . . . . 0.0 109.497 -170.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.508 ' NE2' HG22 ' E' ' 51' ' ' ILE . 29.2 mm-40 -76.65 3.11 12.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -21.78 66.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.638 0.775 . . . . 0.0 112.133 169.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.06 32.62 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.079 -0.845 . . . . 0.0 115.145 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' E' ' 51' ' ' ILE . 12.8 mt -124.18 -142.78 0.31 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.664 1.232 . . . . 0.0 111.169 -170.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.8 6.47 2.15 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 126.572 1.949 . . . . 0.0 113.379 -171.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.34 133.63 10.19 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 125.006 1.322 . . . . 0.0 109.028 172.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -66.34 -177.76 0.96 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.856 2.371 . . . . 0.0 113.221 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.473 1.109 . . . . 0.0 112.759 177.541 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.17 148.33 22.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.948 -0.47 . . . . 0.0 111.651 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.407 HD11 H5'' ' G' ' 42' ' ' ' C' . 4.2 mp -130.81 135.74 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.817 0.847 . . . . 0.0 109.398 169.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.27 162.01 29.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.65 1.18 . . . . 0.0 110.02 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 97.96 4.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 168.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.513 ' HD3' HD11 ' F' ' 12' ' ' ILE . 5.4 ttp180 -105.06 162.09 13.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.853 1.261 . . . . 0.0 110.82 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -116.83 168.51 10.16 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -53.85 134.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.356 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 -11.61 65.1 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.513 1.054 . . . . 0.0 114.804 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.02 175.65 6.79 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.402 1.601 . . . . 0.0 113.048 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -138.65 156.04 47.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' F' ' 6' ' ' ARG . 40.7 mm -128.76 155.06 40.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 126.557 1.943 . . . . 0.0 108.381 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -121.17 148.65 43.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.669 0.788 . . . . 0.0 112.071 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.58 140.24 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.657 1.183 . . . . 0.0 108.836 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.65 -132.52 51.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.5 1.28 8.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.101 0.961 . . . . 0.0 111.938 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -138.14 -11.22 1.47 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.0 137.22 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.973 0.806 . . . . 0.0 110.511 -174.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -128.66 140.76 51.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.318 1.047 . . . . 0.0 110.044 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -118.3 139.76 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.085 1.354 . . . . 0.0 108.139 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 41.2 m -136.28 136.64 39.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.498 0.719 . . . . 0.0 110.27 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -96.86 106.7 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.07 -34.98 56.95 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.71 0.404 . . . . 0.0 110.072 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.59 -175.41 39.01 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 122.942 0.306 . . . . 0.0 113.301 169.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.12 151.31 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.444 0.698 . . . . 0.0 111.529 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 61.5 m -142.37 89.9 2.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.494 1.118 . . . . 0.0 108.624 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.99 -119.97 20.71 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -83.12 -24.84 32.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.367 0.584 . . . . 0.0 112.238 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -69.63 145.71 52.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.865 0.866 . . . . 0.0 110.85 173.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 t -137.61 119.64 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.75 112.49 18.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.578 0.751 . . . . 0.0 109.277 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.51 134.17 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.735 0.814 . . . . 0.0 110.383 -173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.27 142.46 15.76 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.59 1.09 . . . . 0.0 111.547 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.28 136.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.469 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -127.76 109.47 11.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.097 0.959 . . . . 0.0 108.952 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.44 157.41 77.47 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 123.523 0.729 . . . . 0.0 111.392 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.95 162.86 30.59 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.915 2.41 . . . . 0.0 112.214 172.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.32 -11.21 29.83 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.97 -20.35 66.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.288 1.435 . . . . 0.0 112.35 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -129.96 162.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.161 0.984 . . . . 0.0 110.925 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.25 159.64 18.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.945 0.498 . . . . 0.0 111.078 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.02 124.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 122.969 0.507 . . . . 0.0 110.339 169.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -154.1 173.36 16.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.915 0.886 . . . . 0.0 111.117 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -80.46 163.68 23.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 167.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -19.17 65.12 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.27 -44.52 97.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.918 -0.489 . . . . 0.0 110.977 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -85.99 -35.39 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.474 0.71 . . . . 0.0 110.087 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -55.42 -37.38 67.58 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.763 0.825 . . . . 0.0 112.022 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.11 -26.49 67.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.47 0.708 . . . . 0.0 112.542 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -75.74 -24.8 56.14 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.543 0.737 . . . . 0.0 111.011 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -94.19 -36.02 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.044 1.338 . . . . 0.0 110.017 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -80.79 3.14 23.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.052 0.941 . . . . 0.0 113.139 174.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.9 -7.03 6.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.8 37.46 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.838 0.732 . . . . 0.0 112.744 173.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.95 -52.87 0.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m 44.29 40.68 3.84 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.902 1.281 . . . . 0.0 112.456 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.2 126.16 3.29 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.294 1.038 . . . . 0.0 109.744 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -64.09 170.4 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.46 2.107 . . . . 0.0 113.751 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.984 1.314 . . . . 0.0 112.594 178.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.802 3.602 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.432 3.232 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.965 1 O4'-C1'-N19 112.71 4.51 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 O4'-C1'-N19 112.3 4.1 . 0.123 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.449 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 104.377 3.197 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.449 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 C5'-C4'-C3' 108.055 -4.964 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 O4'-C1'-N19 111.769 3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C3'-C2'-C1' 104.172 2.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 O5'-C5'-C4' 113.434 2.31 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 1 C3'-C2'-C1' 105.313 4.237 . 0.15 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 1 O4'-C1'-N19 112.299 4.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 111.512 -2.659 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C5'-C4'-C3' 110.397 -3.402 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.922 -2.778 . 0.936 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 111.674 3.474 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.914 2.714 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 111.096 -2.936 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 113.566 5.366 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 2 C1'-O4'-C4' 104.522 -5.642 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.812 4.612 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 2 O4'-C1'-N19 112.864 4.664 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C5'-C4'-C3' 111.687 -2.542 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 O4'-C1'-N19 112.609 4.409 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.143 3.943 . 0.405 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 110.814 2.614 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 O4'-C1'-N19 111.184 2.984 . 0.508 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 C5'-C4'-C3' 111.592 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C5'-C4'-C3' 111.8 -2.467 . 0.108 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.4 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C5'-C4'-C3' 111.539 -2.641 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 111.181 2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . 0.4 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C4'-C3'-C2' 100.405 -2.295 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.984 2.784 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.4 4.2 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C4'-C3'-C2' 99.132 -3.568 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.299 -3.401 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.441 4.241 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 115.245 7.045 . 0.062 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C5'-C4'-C3' 111.559 -2.628 . 0.749 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 C3'-C2'-C1' 104.151 2.946 . 0.154 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 O4'-C1'-N19 112.864 4.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 1 C5'-C4'-C3' 108.782 -4.479 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . 0.407 H5'' HD11 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.272 1 O4'-C1'-N19 112.562 4.362 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . 0.4 " H1'" " H1'" ' G' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.994 4.794 . 0.01 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . 0.4 " H1'" " H1'" ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.334 1 O4'-C1'-N19 112.268 4.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 1 O4'-C1'-N19 112.418 4.218 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.587 -3.113 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . 0.461 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 112.194 3.994 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C3'-C2'-C1' 104.808 3.676 . 0.321 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C4'-C3'-C2' 99.381 -3.319 . 0.013 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 O4'-C1'-N19 111.897 3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.424 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.513 3 O5'-C5'-C4' 116.594 4.567 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.424 H5'' " C2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.466 1 O5'-C5'-C4' 118.06 5.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . 0.409 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-C3' 111.695 -2.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.407 4.207 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.282 -2.418 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 O4'-C1'-N19 111.092 2.892 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 1 O4'-C1'-N19 112.527 4.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C5'-C4'-C3' 111.593 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 112.059 3.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.53 3.33 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.666 3.466 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C5'-C4'-C3' 111.005 -2.997 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.502 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C5'-C4'-C3' 109.612 -3.925 . 0.147 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.502 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 99.512 -3.188 . 0.128 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 P-O3'-C3' 122.625 2.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 111.335 -2.777 . 0.154 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.4 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C3'-C2'-C1' 97.981 -3.91 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C4'-C3'-C2' 100.144 -2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.516 -2.656 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 O4'-C1'-N19 112.029 3.829 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.383 3.183 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 1 O4'-C1'-N19 113.085 4.885 . 0.585 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 110.33 22.91 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.653 0.661 . . . . 0.0 109.441 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.47 134.44 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.593 0.757 . . . . 0.0 109.076 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -131.38 155.25 47.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 109.647 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -116.2 101.04 8.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.99 138.61 45.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.72 0.808 . . . . 0.0 110.474 -169.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -105.23 154.29 20.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.432 0.293 . . . . 0.0 110.254 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -50.45 124.78 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.455 0.702 . . . . 0.0 111.072 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.59 -5.03 69.87 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.763 1.173 . . . . 0.0 114.331 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -93.12 169.39 10.44 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.829 1.315 . . . . 0.0 111.711 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -137.88 148.53 45.46 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HD2' ' A' ' 6' ' ' ARG . 40.0 mm -109.5 153.92 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 125.875 1.67 . . . . 0.0 109.326 169.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -124.67 136.51 53.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.676 1.191 . . . . 0.0 109.57 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -130.93 131.1 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.103 0.961 . . . . 0.0 109.726 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 -127.98 29.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -124.4 -2.27 8.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.809 0.843 . . . . 0.0 112.661 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -135.61 -26.95 1.2 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -92.98 140.42 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.603 0.638 . . . . 0.0 110.302 -171.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -133.24 146.76 51.74 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.63 0.772 . . . . 0.0 109.327 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 mm -127.93 138.53 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.797 1.239 . . . . 0.0 107.983 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -133.97 132.52 40.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.448 0.567 . . . . 0.0 110.408 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.39 102.53 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.92 -29.85 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.981 -0.45 . . . . 0.0 110.11 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.23 -171.07 40.45 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 113.796 0.278 . . . . 0.0 113.796 168.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.76 155.98 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -139.97 60.93 1.54 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.218 1.007 . . . . 0.0 110.721 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.66 -121.05 5.38 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -173.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.4 21.55 3.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.774 0.83 . . . . 0.0 111.812 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -138.87 159.49 42.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.956 0.902 . . . . 0.0 112.27 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 t -128.96 136.41 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 109.437 -167.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.04 103.59 12.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.01 0.924 . . . . 0.0 110.109 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.66 132.8 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.351 1.46 . . . . 0.0 109.289 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.51 139.0 14.55 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.729 0.68 . . . . 0.0 111.619 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -111.29 129.11 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.302 1.441 . . . . 0.0 108.168 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -118.38 74.94 0.98 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.322 1.049 . . . . 0.0 109.323 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.97 152.26 40.25 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.35 152.8 66.49 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.315 2.01 . . . . 0.0 110.181 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -70.39 -1.13 9.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.6 -25.53 63.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.179 0.992 . . . . 0.0 111.632 169.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.01 144.06 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.933 0.873 . . . . 0.0 111.732 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.0 32.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.08 0.952 . . . . 0.0 110.767 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 m -130.81 131.68 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.744 0.417 . . . . 0.0 110.136 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -151.44 -176.04 5.43 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.555 1.142 . . . . 0.0 110.38 -171.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -125.32 167.1 15.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 172.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -52.24 -53.73 40.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -166.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -76.69 -0.94 25.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.282 0.947 . . . . 0.0 113.19 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 44' ' ' ARG . 2.8 mt -106.5 -26.49 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.205 1.002 . . . . 0.0 110.321 169.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.29 -32.61 73.36 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.448 -0.783 . . . . 0.0 110.565 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.86 -19.3 61.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.081 0.952 . . . . 0.0 111.81 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -76.97 -34.97 57.54 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.905 0.882 . . . . 0.0 111.186 171.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.493 HG22 HE21 ' A' ' 52' ' ' GLN . 52.1 mt -63.7 -51.54 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.493 HE21 HG22 ' A' ' 51' ' ' ILE . 85.8 mm-40 -84.06 5.07 27.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.055 0.942 . . . . 0.0 112.965 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -22.78 66.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.956 0.502 . . . . 0.0 111.969 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.04 -15.93 1.53 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 123.955 0.788 . . . . 0.0 112.68 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.4 pp -84.69 90.82 7.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.976 0.893 . . . . 0.0 110.812 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -138.49 111.21 7.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.634 -0.666 . . . . 0.0 110.227 -172.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.79 154.3 37.24 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 123.904 0.882 . . . . 0.0 111.266 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.37 162.13 41.0 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.219 2.613 . . . . 0.0 111.647 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.34 171.044 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.58 122.34 45.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.328 1.451 . . . . 0.0 107.4 168.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.4 HD11 " H5'" ' G' ' 52' ' ' ' A' . 57.5 mt -118.16 140.35 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -165.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -132.98 142.43 48.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.064 1.346 . . . . 0.0 110.453 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -114.17 110.53 20.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -130.87 144.68 51.64 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.094 0.958 . . . . 0.0 111.492 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -78.1 158.77 29.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.2 m -58.93 135.57 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.666 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.48 71.61 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.111 -0.827 . . . . 0.0 114.738 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -90.3 165.63 13.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.977 1.389 . . . . 0.0 112.112 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -128.8 156.47 43.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.714 0.769 . . . . 0.0 112.685 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -141.8 156.1 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.362 1.865 . . . . 0.0 108.804 -170.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -138.25 143.97 40.34 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.702 -0.624 . . . . 0.0 112.548 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -135.95 142.7 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 116.855 -1.545 . . . . 0.0 107.109 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 15.94 122.66 0.0 OUTLIER Glycine 0 C--N 1.34 0.779 0 CA-C-O 115.802 -2.665 . . . . 0.0 110.602 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.54 5.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 120.98 3.696 . . . . 0.0 120.98 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.9 m-20 -86.83 -21.35 26.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.677 1.191 . . . . 0.0 112.265 164.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -114.57 142.84 25.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 121.229 1.832 . . . . 0.0 113.229 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -139.39 151.59 46.42 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.898 1.279 . . . . 0.0 109.986 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.08 145.07 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 126.065 1.746 . . . . 0.0 108.583 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.4 m -138.74 130.75 28.1 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.099 0.56 . . . . 0.0 110.119 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.405 HG22 ' H ' ' B' ' 22' ' ' ILE . 2.6 tp -82.54 111.9 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 170.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.19 -31.03 38.81 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.125 -0.359 . . . . 0.0 110.978 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.87 179.69 33.89 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 122.57 0.129 . . . . 0.0 113.306 169.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.34 150.63 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.123 0.569 . . . . 0.0 110.903 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -133.56 78.37 1.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.568 1.147 . . . . 0.0 108.567 170.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.77 -116.7 4.7 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.68 7.28 43.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.283 0.633 . . . . 0.0 110.801 177.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 150.61 21.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.038 0.935 . . . . 0.0 110.034 169.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.14 115.64 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.291 0.636 . . . . 0.0 109.316 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.91 118.19 26.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.08 0.952 . . . . 0.0 109.575 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.96 132.17 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.146 0.978 . . . . 0.0 109.862 -169.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.77 138.15 13.93 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -120.33 132.63 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.838 0.828 . . . . 0.0 108.978 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -130.94 82.73 2.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.661 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.92 156.0 80.54 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.183 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -58.55 155.97 33.96 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.905 1.737 . . . . 0.0 110.808 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.619 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.2 mmtm -72.54 -0.68 13.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.92 0.488 . . . . 0.0 111.999 171.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.9 -27.52 68.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.978 1.311 . . . . 0.0 112.068 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.42 144.08 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.706 0.802 . . . . 0.0 110.315 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.13 142.3 27.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.299 0.571 . . . . 0.0 111.504 170.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.14 96.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.855 -166.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.75 159.69 42.82 Favored 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 121.674 -0.641 . . . . 0.0 111.522 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.9 ptt-85 -63.91 156.3 28.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.55 0.214 . . . . 0.0 111.308 169.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.48 -37.17 62.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.429 0.691 . . . . 0.0 112.356 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.46 -47.76 66.27 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.16 0.436 . . . . 0.0 110.988 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.46 -47.32 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.307 1.443 . . . . 0.0 110.037 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.67 -36.22 45.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.113 0.965 . . . . 0.0 111.59 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.41 -21.13 62.03 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -83.91 -37.77 21.94 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.371 0.987 . . . . 0.0 110.683 169.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.511 HG22 ' NE2' ' B' ' 52' ' ' GLN . 94.9 mt -62.93 -41.9 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.511 ' NE2' HG22 ' B' ' 51' ' ' ILE . 33.9 mm-40 -79.55 5.1 13.88 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 173.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.61 -20.33 47.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.865 -0.522 . . . . 0.0 111.489 168.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.97 45.18 0.07 OUTLIER Glycine 0 C--N 1.338 0.661 0 CA-C-O 119.392 -0.671 . . . . 0.0 114.546 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.0 -176.09 2.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.062 0.931 . . . . 0.0 113.061 -168.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -125.24 178.74 5.41 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.568 1.547 . . . . 0.0 109.093 167.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.32 123.2 1.35 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 124.623 1.169 . . . . 0.0 112.297 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -66.84 -177.07 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.974 2.449 . . . . 0.0 113.566 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 124.013 0.925 . . . . 0.0 112.48 171.521 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 112.02 23.35 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 166.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.35 136.73 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.897 0.879 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.016 0.926 . . . . 0.0 109.595 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 24.5 p -93.55 144.51 25.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.436 ' NH1' HD12 ' C' ' 12' ' ' ILE . 2.0 ttp-105 -146.06 157.97 43.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.2 tptm -91.82 153.58 19.48 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.27 1.028 . . . . 0.0 109.546 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.84 135.57 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 118.33 0.514 . . . . 0.0 111.74 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.19 -6.16 68.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.894 1.235 . . . . 0.0 114.698 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -92.12 176.05 6.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.318 1.559 . . . . 0.0 113.057 -173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -129.63 152.08 49.54 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.436 HD12 ' NH1' ' C' ' 6' ' ' ARG . 23.2 mt -134.22 152.95 34.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 C-N-CA 126.916 2.087 . . . . 0.0 108.676 173.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.55 145.91 44.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.014 0.925 . . . . 0.0 111.25 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -130.98 129.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.565 1.146 . . . . 0.0 108.597 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.68 -138.81 47.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -117.64 4.84 12.33 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.851 1.26 . . . . 0.0 111.078 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.7 -17.23 5.99 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -169.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.62 140.11 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.967 0.803 . . . . 0.0 110.874 -170.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -129.27 140.66 51.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 109.719 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -117.49 135.46 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 108.836 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -127.36 129.73 48.13 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.331 0.653 . . . . 0.0 110.047 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -88.86 117.06 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.651 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.5 mt -91.61 -38.5 12.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.139 -0.351 . . . . 0.0 110.375 -174.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.67 -178.58 42.59 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 113.809 0.283 . . . . 0.0 113.809 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.45 154.23 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.644 0.777 . . . . 0.0 110.467 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -151.45 106.27 3.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 108.607 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.7 -133.63 25.37 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.27 1.77 56.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.852 0.861 . . . . 0.0 111.993 170.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.85 151.72 21.62 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.989 0.915 . . . . 0.0 110.458 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -136.0 118.97 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 124.122 0.969 . . . . 0.0 108.664 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -77.98 112.12 14.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.473 0.579 . . . . 0.0 109.627 171.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.78 127.16 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.841 1.256 . . . . 0.0 109.658 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.89 139.22 14.36 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.298 0.951 . . . . 0.0 111.971 173.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.13 118.58 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.583 1.153 . . . . 0.0 108.498 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -116.39 92.05 3.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.089 0.556 . . . . 0.0 110.115 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.5 157.79 71.83 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.397 1.079 . . . . 0.0 110.067 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.39 153.89 71.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.622 2.215 . . . . 0.0 111.179 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.72 -1.01 3.31 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 123.293 0.637 . . . . 0.0 112.474 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -22.22 66.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.241 1.016 . . . . 0.0 111.334 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.02 148.93 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.42 156.99 19.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.711 0.404 . . . . 0.0 111.349 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -137.51 134.7 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.341 0.656 . . . . 0.0 109.231 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -155.57 160.8 40.79 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.684 0.675 . . . . 0.0 112.703 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -67.14 146.05 54.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 165.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.67 -31.74 70.97 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.812 0.733 . . . . 0.0 111.98 -173.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -54.59 -44.51 73.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.765 0.826 . . . . 0.0 111.528 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -85.2 -31.77 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.497 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.402 ' HA ' HG12 ' C' ' 51' ' ' ILE . 61.6 t80 -53.91 -37.25 63.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.669 0.788 . . . . 0.0 112.136 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.22 -28.49 70.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.858 -0.526 . . . . 0.0 112.217 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.73 -36.4 70.46 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.517 0.727 . . . . 0.0 111.75 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.9 mm -59.26 -28.52 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.239 0.616 . . . . 0.0 110.276 176.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -98.39 2.06 47.52 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.728 1.211 . . . . 0.0 112.319 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.86 4.06 8.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.4 1.08 . . . . 0.0 113.828 -172.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.74 21.75 1.23 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 123.979 0.8 . . . . 0.0 113.417 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 35.9 mt -81.76 -28.01 33.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.048 0.924 . . . . 0.0 111.794 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p -79.71 -34.43 40.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.961 0.905 . . . . 0.0 111.632 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.14 119.6 4.79 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.54 1.136 . . . . 0.0 109.856 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.88 174.21 4.93 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.026 2.484 . . . . 0.0 113.934 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 124.138 0.975 . . . . 0.0 112.815 -175.289 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.469 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.0 tpp . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.28 115.53 28.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.26 1.424 . . . . 0.0 107.812 167.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.469 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -100.22 124.28 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.863 1.265 . . . . 0.0 108.592 -178.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -109.54 168.13 9.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.909 0.884 . . . . 0.0 109.158 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -125.53 109.83 13.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 168.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -113.55 131.26 56.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.829 -0.545 . . . . 0.0 111.239 -167.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -72.95 152.27 41.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.209 0.528 . . . . 0.0 110.547 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.36 137.97 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.454 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.45 -5.23 85.05 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.298 0.951 . . . . 0.0 114.073 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -85.51 170.91 12.18 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.09 1.445 . . . . 0.0 112.186 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -131.03 163.1 28.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.941 0.897 . . . . 0.0 112.295 -170.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mt -150.32 160.12 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.552 2.341 . . . . 0.0 108.207 -168.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -137.78 152.96 49.7 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.049 0.94 . . . . 0.0 112.343 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -133.28 138.31 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.9 1.28 . . . . 0.0 108.947 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.51 -135.35 51.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.98 10.02 6.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.014 0.926 . . . . 0.0 112.648 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -129.39 -14.18 4.27 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.54 137.95 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 119.082 0.856 . . . . 0.0 110.98 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 41.6 m -120.03 146.75 45.59 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.641 1.176 . . . . 0.0 109.696 172.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.23 142.72 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.412 1.485 . . . . 0.0 108.006 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -138.53 130.74 28.54 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -87.9 101.15 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 54.6 mt -75.61 -29.66 59.29 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.205 0.602 . . . . 0.0 111.154 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.26 -172.08 39.14 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 122.969 0.319 . . . . 0.0 112.575 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -111.6 164.82 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.093 0 C-N-CA 123.162 0.585 . . . . 0.0 111.07 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -151.74 80.16 1.27 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.089 0.955 . . . . 0.0 109.747 169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.09 -121.79 5.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.474 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -87.6 -11.23 49.18 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.427 0.691 . . . . 0.0 110.69 170.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.86 154.83 28.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.053 0.93 . . . . 0.0 111.927 171.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.01 129.65 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.774 1.63 . . . . 0.0 107.329 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -96.36 115.21 27.06 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.914 0.886 . . . . 0.0 108.654 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -124.8 129.8 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.121 0.568 . . . . 0.0 110.164 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.58 136.83 12.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.075 0.845 . . . . 0.0 111.156 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.48 141.23 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.06 0.944 . . . . 0.0 108.565 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -138.12 89.99 2.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.29 0.636 . . . . 0.0 109.414 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.77 157.07 60.9 Favored Pre-proline 0 N--CA 1.452 -0.373 0 C-N-CA 124.691 1.197 . . . . 0.0 109.88 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.28 150.79 87.61 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.136 1.891 . . . . 0.0 110.532 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.4 -2.11 7.87 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.08 -23.36 66.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.82 1.248 . . . . 0.0 111.789 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.98 160.03 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.18 0.992 . . . . 0.0 110.961 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.77 156.97 16.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.298 0.639 . . . . 0.0 112.505 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.64 118.63 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.127 0.571 . . . . 0.0 109.957 168.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -148.81 162.25 40.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.505 0.722 . . . . 0.0 111.592 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -62.76 155.51 26.44 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.816 0.446 . . . . 0.0 110.654 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.54 -33.28 74.59 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.975 0.51 . . . . 0.0 111.542 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.77 -27.71 68.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.494 0.717 . . . . 0.0 112.675 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -89.46 -37.36 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.86 1.264 . . . . 0.0 110.726 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -53.39 -40.74 65.28 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.121 0.969 . . . . 0.0 111.041 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -64.08 -25.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.509 0.724 . . . . 0.0 112.918 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.543 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 4.9 ttt180 -77.06 -38.96 51.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.724 0.809 . . . . 0.0 111.222 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 77.9 mt -73.53 -37.62 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 121.142 0.496 . . . . 0.0 109.849 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.41 1.91 20.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.002 0.921 . . . . 0.0 111.219 172.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -77.34 -17.54 58.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.692 0.797 . . . . 0.0 112.129 169.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.82 40.46 0.2 Allowed Glycine 0 CA--C 1.526 0.732 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.532 169.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.8 pp -157.07 173.15 17.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.481 1.141 . . . . 0.0 112.513 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -139.18 76.24 1.56 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.137 0.975 . . . . 0.0 109.46 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.38 91.74 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 126.342 1.857 . . . . 0.0 113.889 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.01 165.73 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.301 2.667 . . . . 0.0 114.732 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 124.712 1.205 . . . . 0.0 112.892 -176.042 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -113.77 141.28 47.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.514 0.726 . . . . 0.0 110.077 169.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 mm -126.42 116.2 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.267 1.027 . . . . 0.0 108.345 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.12 151.43 38.3 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.771 1.228 . . . . 0.0 110.089 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.34 109.7 11.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 166.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -121.49 162.14 21.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.396 1.478 . . . . 0.0 109.769 -174.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -117.38 167.13 11.53 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.56 133.87 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.022 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.21 67.7 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.353 0.978 . . . . 0.0 114.759 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -90.39 176.48 6.7 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.314 1.557 . . . . 0.0 112.592 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -137.26 156.76 47.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -136.72 152.69 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.502 1.921 . . . . 0.0 107.906 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -124.99 150.72 46.4 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.565 -0.71 . . . . 0.0 112.721 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.69 138.48 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.853 1.261 . . . . 0.0 108.914 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.43 -140.21 47.26 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.01 9.36 11.83 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.907 0.883 . . . . 0.0 111.77 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -136.59 -7.88 1.93 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -169.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.52 136.55 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 119.166 0.894 . . . . 0.0 110.799 -173.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.6 m -126.38 143.49 51.15 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.349 1.059 . . . . 0.0 110.303 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -120.39 135.4 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.518 1.527 . . . . 0.0 108.213 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 32.9 m -132.7 133.25 43.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.545 0.738 . . . . 0.0 110.264 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -91.65 99.99 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.65 -32.91 68.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.742 -0.599 . . . . 0.0 110.961 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.34 -178.99 33.43 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.03 0.347 . . . . 0.0 113.42 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.87 157.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.638 0.775 . . . . 0.0 111.8 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -149.95 90.04 1.65 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.631 1.172 . . . . 0.0 109.305 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -106.35 1.95 Allowed Glycine 0 CA--C 1.524 0.619 0 O-C-N 121.874 -0.517 . . . . 0.0 111.853 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -99.34 -20.81 16.33 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 117.691 0.745 . . . . 0.0 111.896 169.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -72.67 142.56 48.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.8 115.85 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -86.28 126.57 34.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.42 133.01 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.704 0.802 . . . . 0.0 110.165 -168.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.11 140.81 15.06 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.363 0.982 . . . . 0.0 111.507 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -133.14 124.0 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.549 1.139 . . . . 0.0 108.954 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -123.56 99.27 6.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.982 0.513 . . . . 0.0 109.637 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.61 155.4 73.56 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.5 1.12 . . . . 0.0 110.671 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.83 159.47 37.53 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.938 2.425 . . . . 0.0 112.007 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -69.57 -0.84 7.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.4 0.68 . . . . 0.0 112.762 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.0 -22.79 67.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.569 1.148 . . . . 0.0 111.286 169.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.02 155.05 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.34 1.056 . . . . 0.0 110.655 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.08 155.24 19.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.92 126.9 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.927 0.491 . . . . 0.0 110.299 169.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -150.61 169.89 20.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.265 1.026 . . . . 0.0 109.855 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 31.2 ptt-85 -82.08 166.15 19.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.772 -0.58 . . . . 0.0 110.205 169.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.73 -32.61 69.38 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -169.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.47 -44.05 80.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 112.049 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.14 -32.85 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.996 0.919 . . . . 0.0 110.295 -170.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -50.65 -35.22 29.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.496 1.119 . . . . 0.0 112.516 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -59.96 -21.99 61.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.273 1.029 . . . . 0.0 112.719 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -73.24 -47.82 39.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.52 0.6 . . . . 0.0 109.558 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.493 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.1 mp -64.89 -22.97 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.116 1.366 . . . . 0.0 110.674 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.23 -40.45 16.63 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 169.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.45 -33.26 7.41 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.11 -24.45 1.83 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 124.08 0.847 . . . . 0.0 112.746 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.422 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.3 OUTLIER 65.85 165.65 0.18 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 128.518 2.727 . . . . 0.0 113.558 169.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 41.4 p -100.98 -4.54 27.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.908 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.68 134.6 23.68 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 123.992 0.917 . . . . 0.0 109.83 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.89 172.11 3.2 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.21 2.607 . . . . 0.0 113.553 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 124.863 1.265 . . . . 0.0 112.572 179.377 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.12 149.21 21.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.059 -0.401 . . . . 0.0 111.539 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.401 HD11 H5'' ' G' ' 42' ' ' ' C' . 4.1 mp -127.9 133.36 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -126.8 161.9 27.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.791 1.237 . . . . 0.0 109.821 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.09 97.05 4.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 168.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.9 OUTLIER -108.38 142.64 38.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.244 1.018 . . . . 0.0 110.444 -178.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -92.16 170.21 10.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 m -59.54 139.17 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.314 0.578 . . . . 0.0 112.032 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -4.14 83.04 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.147 0.879 . . . . 0.0 113.855 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -92.22 172.38 8.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.767 1.283 . . . . 0.0 112.645 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 65.8 m -134.8 152.73 51.99 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.887 0.875 . . . . 0.0 112.445 -171.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 29.4 mt -140.24 156.29 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.033 1.733 . . . . 0.0 108.661 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -137.32 147.7 45.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.408 0.683 . . . . 0.0 112.216 -170.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.72 140.83 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.517 1.127 . . . . 0.0 109.213 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.63 -137.54 49.72 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -121.19 9.99 10.57 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.859 0.864 . . . . 0.0 111.89 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -137.43 -14.47 1.49 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -169.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.48 137.19 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 118.982 0.81 . . . . 0.0 110.521 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -132.88 140.73 48.04 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.282 1.033 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.3 mm -122.51 143.69 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.574 1.55 . . . . 0.0 108.295 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.25 127.97 31.0 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.341 0.656 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.64 112.22 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' F' ' 31' ' ' ARG . 24.2 mt -85.99 -26.66 25.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.95 0.9 . . . . 0.0 110.937 -173.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.6 -173.8 33.68 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.076 0.37 . . . . 0.0 113.77 169.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.09 158.15 38.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 C-N-CA 123.407 0.683 . . . . 0.0 112.321 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 93.21 1.98 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.514 1.126 . . . . 0.0 109.292 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.58 -102.98 1.45 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.822 -0.549 . . . . 0.0 111.986 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -102.65 -14.93 16.51 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.725 0.762 . . . . 0.0 111.836 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -72.45 145.37 47.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.537 0.684 . . . . 0.0 110.013 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.64 110.4 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . 0.425 ' HG2' HD12 ' F' ' 23' ' ' LEU . 26.0 ttm180 -87.35 126.9 35.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -134.11 134.77 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.91 . . . . 0.0 110.521 -168.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.2 140.57 15.07 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.64 135.87 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.094 0.957 . . . . 0.0 109.11 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -137.1 109.97 7.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.571 0.748 . . . . 0.0 109.552 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.29 157.2 75.96 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.717 0.807 . . . . 0.0 111.479 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.1 162.15 36.9 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.195 2.596 . . . . 0.0 112.507 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.64 -12.15 59.8 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.699 0.8 . . . . 0.0 112.88 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.91 -20.78 66.63 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.992 1.317 . . . . 0.0 112.575 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -126.29 166.74 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.777 0.831 . . . . 0.0 111.1 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.61 157.8 15.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.173 0.589 . . . . 0.0 111.827 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.97 113.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.567 0.747 . . . . 0.0 110.305 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.08 167.03 28.95 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.681 0.792 . . . . 0.0 110.922 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -68.37 154.7 41.28 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 109.61 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.36 -23.67 67.51 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.49 -48.11 75.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.492 1.117 . . . . 0.0 110.99 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -81.9 -32.87 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.088 0.955 . . . . 0.0 110.195 -171.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -53.25 -39.8 64.13 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.07 0.948 . . . . 0.0 112.167 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.67 -24.55 66.81 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.403 0.681 . . . . 0.0 112.58 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.62 -22.9 27.76 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.664 1.186 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.491 ' O ' HD12 ' F' ' 55' ' ' LEU . 35.0 mt -93.82 -24.38 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.837 1.255 . . . . 0.0 110.796 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -85.27 -46.31 11.14 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.11 4.06 22.62 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -167.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . 0.463 ' C ' HD22 ' F' ' 55' ' ' LEU . . . -153.35 -20.13 0.05 OUTLIER Glycine 0 CA--C 1.526 0.736 0 CA-C-N 119.283 0.947 . . . . 0.0 112.877 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.491 HD12 ' O ' ' F' ' 51' ' ' ILE . 0.1 OUTLIER 61.29 173.55 0.11 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 130.44 3.496 . . . . 0.0 114.132 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p -78.97 140.28 38.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.33 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 46.59 73.64 0.95 Allowed Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 124.888 1.275 . . . . 0.0 112.672 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.75 -43.99 47.58 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.951 3.101 . . . . 0.0 113.769 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.451 -0.393 0 C-N-CA 123.2 0.6 . . . . 0.0 110.513 -169.131 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 O4'-C1'-N19 111.288 3.088 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.414 3.214 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 1 O4'-C1'-N19 112.577 4.377 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 112.062 3.862 . 0.284 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.715 3.515 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C5'-C4'-O4' 114.057 3.469 . 0.019 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.485 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.986 3.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C3'-C2'-C1' 103.883 2.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 O5'-C5'-C4' 113.347 2.248 . 0.019 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 C3'-C2'-C1' 104.79 3.656 . 0.18 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O5'-C5'-C4' 114.415 3.011 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.516 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 C5'-C4'-C3' 111.436 -2.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 1 C5'-C4'-C3' 108.454 -4.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 99.995 -2.705 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.731 3.531 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 N19-C1'-C2' 109.323 -2.548 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.518 4.318 . 0.101 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 110.471 -3.353 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 2 O4'-C1'-N19 112.688 4.488 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.577 4.377 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 1 O4'-C1'-N19 112.469 4.269 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-O4' 113.045 2.746 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 O4'-C1'-N19 112.693 4.493 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 112.147 3.947 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 N19-C1'-C2' 109.047 -2.721 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 O4'-C1'-N19 111.316 3.116 . 0.4 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.465 -2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.619 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 112.366 -2.089 . 0.068 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-C3' 111.486 -2.676 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 O4'-C1'-N19 111.685 3.485 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 100.089 -2.611 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 110.964 2.764 . 0.483 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.582 4.382 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 C4'-C3'-C2' 99.081 -3.619 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.543 -3.157 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.438 4.238 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 C4'-C3'-C2' 99.694 -3.006 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.446 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 110.944 -3.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.446 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 P-O3'-C3' 122.001 1.917 . 0.113 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 113.142 4.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 1 C5'-C4'-C3' 108.86 -4.426 . 0.047 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . 0.401 H5'' HD11 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 112.888 4.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 O4'-C1'-N19 112.464 4.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.16 3.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.464 4.264 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 111.31 3.11 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.651 3.451 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 C3'-C2'-C1' 105.686 4.651 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C4'-C3'-C2' 100.006 -2.694 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.064 2.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 111.578 -2.615 . 0.42 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.4 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O5'-C5'-C4' 117.225 5.018 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 111.964 -2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 111.897 3.697 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C5'-C4'-O4' 112.917 2.655 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O4'-C1'-N19 110.993 2.793 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 O4'-C1'-N19 113.266 5.066 . 0.042 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.684 4.484 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 1 O4'-C1'-N19 112.445 4.245 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.473 3.273 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.367 3.167 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 C3'-C2'-C1' 104.702 3.557 . 0.306 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-O4' 114.338 3.67 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 P-O3'-C3' 122.635 2.445 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 111.76 3.56 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 0 C5'-C4'-C3' 110.697 -3.202 . 0.159 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.651 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.412 -3.424 1 C3'-C2'-C1' 97.49 -4.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 100.069 -2.631 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C5'-C4'-C3' 111.588 -2.608 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.211 4.011 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 O4'-C1'-N19 111.347 3.147 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 C3'-C2'-C1' 104.561 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.122 -0.466 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.92 110.3 22.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.683 0.793 . . . . 0.0 109.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.11 132.11 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.761 0.824 . . . . 0.0 108.844 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -130.76 162.18 30.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.34 1.056 . . . . 0.0 109.791 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.7 m -126.23 129.39 48.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.77 162.43 27.44 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.554 0.742 . . . . 0.0 110.097 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -125.18 157.21 37.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.8 t -49.38 119.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 120.72 0.295 . . . . 0.0 110.826 -175.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.24 -5.03 52.15 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.815 1.198 . . . . 0.0 114.603 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -94.71 169.82 9.89 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.951 1.375 . . . . 0.0 112.346 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -139.39 161.11 38.26 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -168.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.6 mm -130.6 157.56 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 127.36 2.264 . . . . 0.0 107.918 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -129.95 144.31 51.26 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.607 1.163 . . . . 0.0 110.553 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.97 133.08 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.489 0.715 . . . . 0.0 109.461 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.46 -131.35 38.07 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -123.89 -1.77 8.32 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.04 0.936 . . . . 0.0 112.315 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.32 -15.61 2.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.9 mt -107.8 139.68 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.74 0.7 . . . . 0.0 110.722 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -138.24 140.94 39.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.337 1.055 . . . . 0.0 109.485 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 mm -120.81 144.73 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.726 1.21 . . . . 0.0 108.529 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -138.77 136.16 35.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.464 0.706 . . . . 0.0 110.382 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -86.37 103.35 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.76 -30.43 51.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.104 -0.372 . . . . 0.0 110.484 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.61 -177.63 45.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 169.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 142.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.113 0.965 . . . . 0.0 110.859 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -136.19 68.34 1.44 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.211 1.405 . . . . 0.0 109.759 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.46 -118.14 7.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -80.07 -10.73 59.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.393 0.677 . . . . 0.0 111.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.87 158.87 15.35 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.965 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.19 127.6 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.556 1.542 . . . . 0.0 108.389 -169.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt85 -102.62 103.56 13.87 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.537 0.608 . . . . 0.0 110.73 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -108.59 133.05 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.558 1.543 . . . . 0.0 109.339 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.05 139.62 14.85 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 123.866 0.746 . . . . 0.0 111.647 173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.84 138.36 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 125.251 1.42 . . . . 0.0 108.45 174.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -126.67 75.01 1.52 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.526 1.13 . . . . 0.0 109.243 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.26 154.07 43.05 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.175 1.39 . . . . 0.0 110.637 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 155.59 57.28 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.489 2.126 . . . . 0.0 110.581 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -67.74 -3.39 9.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -30.96 71.61 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.962 0.905 . . . . 0.0 111.663 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.48 144.03 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 122.079 0.942 . . . . 0.0 111.789 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.05 41.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.547 1.139 . . . . 0.0 111.553 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -129.03 119.66 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' CG ' HD11 ' A' ' 51' ' ' ILE . 98.3 m-70 -148.79 -176.0 5.16 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.809 0.844 . . . . 0.0 110.594 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -125.29 167.49 14.82 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 170.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.32 -29.13 69.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.26 -5.39 41.76 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -120.0 -26.88 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.89 1.276 . . . . 0.0 110.929 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' HA ' HD12 ' A' ' 51' ' ' ILE . 47.3 t80 -63.59 -31.73 72.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.461 -0.774 . . . . 0.0 110.667 -174.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -73.63 -15.78 61.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.916 0.887 . . . . 0.0 111.618 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.56 -35.95 39.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.515 1.126 . . . . 0.0 110.96 169.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' CG ' ' A' ' 43' ' ' HIS . 56.5 mt -64.15 -48.7 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.04 0.936 . . . . 0.0 109.633 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -84.02 5.13 26.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.288 1.035 . . . . 0.0 112.453 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.87 -12.59 61.72 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.35 25.93 4.18 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.89 0.757 . . . . 0.0 113.2 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -114.72 -172.96 2.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.962 1.305 . . . . 0.0 109.491 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . 0.259 1.5 t 54.52 21.79 3.55 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.684 1.593 . . . . 0.0 114.269 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.94 158.76 41.53 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.998 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -70.22 -14.87 35.1 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.202 2.601 . . . . 0.0 112.97 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 C-N-CA 122.947 0.499 . . . . 0.0 111.401 -169.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.87 121.32 43.61 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.404 HD11 " H5'" ' G' ' 52' ' ' ' A' . 53.8 mt -116.87 139.52 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.843 0.457 . . . . 0.0 111.743 -165.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.32 132.49 41.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.274 1.03 . . . . 0.0 110.706 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.476 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 57.4 m -89.89 117.92 29.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 168.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' B' ' 10' ' ' GLU . 1.4 tpm_? -128.61 134.17 48.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 0.0 110.167 -168.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -96.77 160.33 14.43 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 118.689 0.677 . . . . 0.0 111.944 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.0 127.58 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.481 0.658 . . . . 0.0 110.835 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.91 -3.6 65.01 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.126 -0.943 . . . . 0.0 114.595 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.407 ' HB2' ' HG3' ' B' ' 6' ' ' ARG . 33.9 mt-10 -82.26 164.97 20.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.906 1.353 . . . . 0.0 111.645 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -128.18 149.01 50.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.344 1.058 . . . . 0.0 111.781 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 18.0 mt -132.27 153.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 126.068 1.747 . . . . 0.0 109.679 -173.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -137.08 140.65 42.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.712 -0.618 . . . . 0.0 111.856 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -134.52 133.27 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.167 0.987 . . . . 0.0 109.719 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.86 -137.73 50.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.94 0.73 10.33 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.664 0.786 . . . . 0.0 112.107 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.56 -16.47 9.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.804 0.842 . . . . 0.0 113.0 -172.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.48 134.15 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.593 0.711 . . . . 0.0 110.86 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -127.0 148.15 50.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.741 1.216 . . . . 0.0 109.531 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -130.15 145.68 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.879 1.672 . . . . 0.0 107.839 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -137.42 131.91 32.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.988 -0.445 . . . . 0.0 110.262 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.67 91.43 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.83 -30.75 71.01 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.735 -0.603 . . . . 0.0 111.51 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.14 -174.48 37.73 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 113.587 0.195 . . . . 0.0 113.587 170.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.07 150.77 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.357 0.663 . . . . 0.0 110.43 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.0 m -132.34 79.56 1.86 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.378 1.071 . . . . 0.0 108.977 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.07 -116.26 4.4 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -175.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -100.39 8.13 43.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.513 0.725 . . . . 0.0 110.778 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -98.93 154.32 18.15 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.875 1.27 . . . . 0.0 110.136 170.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.2 t -143.54 118.32 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.804 1.242 . . . . 0.0 108.884 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.9 125.05 37.32 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -131.8 131.21 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.888 0.875 . . . . 0.0 109.979 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.17 139.99 14.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -124.82 130.9 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.87 0.843 . . . . 0.0 109.564 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -133.0 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.536 -168.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.04 157.64 50.12 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.53 174.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -60.28 155.78 44.21 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 121.738 1.625 . . . . 0.0 109.903 168.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.878 0.871 . . . . 0.0 111.736 172.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.85 -24.21 66.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.959 1.704 . . . . 0.0 110.955 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.45 144.14 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.531 1.132 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.61 141.4 29.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.518 0.675 . . . . 0.0 111.231 171.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.6 99.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.832 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.92 168.11 21.63 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 122.86 0.464 . . . . 0.0 111.212 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 21.0 ptt-85 -79.26 162.09 25.89 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.805 0.442 . . . . 0.0 112.106 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.1 -43.76 70.68 Favored 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 123.432 0.693 . . . . 0.0 112.244 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.22 -3.85 8.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -107.21 -50.88 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.847 1.259 . . . . 0.0 110.085 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -49.01 -37.77 21.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.814 1.646 . . . . 0.0 112.253 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.8 -24.68 65.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -79.54 -40.52 29.36 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.718 0.69 . . . . 0.0 110.469 171.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.516 HG22 ' NE2' ' B' ' 52' ' ' GLN . 91.4 mt -64.07 -40.24 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.2 mm-40 -80.15 4.93 15.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.0 -20.53 38.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.127 0.571 . . . . 0.0 111.955 169.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.8 45.67 0.07 OUTLIER Glycine 0 C--N 1.338 0.649 0 CA-C-O 119.431 -0.649 . . . . 0.0 114.663 169.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.97 -176.41 2.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.939 0.87 . . . . 0.0 112.802 -168.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -125.51 -177.75 4.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.341 1.457 . . . . 0.0 109.208 167.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.88 126.09 1.97 Allowed Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 124.163 0.985 . . . . 0.0 111.826 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -63.71 -176.39 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.575 2.85 . . . . 0.0 113.576 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 124.321 1.049 . . . . 0.0 112.637 174.401 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.08 108.7 17.35 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.14 134.29 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.989 0.916 . . . . 0.0 109.538 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -131.79 135.0 46.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.462 1.105 . . . . 0.0 110.102 170.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.3 p -98.76 139.23 34.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.151 0.58 . . . . 0.0 111.206 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.51 131.46 27.77 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.483 0.713 . . . . 0.0 110.623 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.5 tptm -74.86 156.11 36.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 168.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.51 136.29 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 O-C-N 121.551 -0.718 . . . . 0.0 111.733 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.82 -4.07 84.89 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.557 1.075 . . . . 0.0 114.222 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -86.49 174.83 8.7 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.173 1.487 . . . . 0.0 112.421 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -134.76 158.91 42.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' D' ' 44' ' ' ARG . 30.7 mm -143.23 153.14 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 128.345 2.658 . . . . 0.0 107.789 -172.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -133.19 147.65 52.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.297 -0.877 . . . . 0.0 112.15 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -133.06 130.61 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.415 1.086 . . . . 0.0 108.939 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -139.12 42.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.23 10.0 9.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.126 0.97 . . . . 0.0 112.005 169.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -117.17 -17.69 10.18 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.34 1.056 . . . . 0.0 113.088 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.51 139.74 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 118.842 0.746 . . . . 0.0 111.424 -169.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -128.38 140.7 51.71 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.915 1.286 . . . . 0.0 109.242 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.95 140.41 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.475 1.11 . . . . 0.0 108.441 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -137.74 130.08 29.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.018 -0.426 . . . . 0.0 110.414 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.96 123.94 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -98.55 -38.02 9.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -175.38 45.38 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.209 -0.519 . . . . 0.0 114.103 168.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -122.46 149.39 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.593 0.757 . . . . 0.0 110.589 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.0 m -143.0 102.16 3.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.677 1.191 . . . . 0.0 108.645 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.4 -127.62 20.71 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -169.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.51 -0.83 54.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.823 0.849 . . . . 0.0 112.124 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.82 153.44 24.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.847 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' D' ' 30' ' ' VAL . 42.5 t -133.97 123.02 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.95 1.3 . . . . 0.0 108.003 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -86.25 112.33 21.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.55 130.89 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.756 1.223 . . . . 0.0 109.065 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 137.28 13.16 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 124.055 0.836 . . . . 0.0 111.529 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.08 123.19 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.497 1.119 . . . . 0.0 108.609 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.13 93.66 3.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.812 0.445 . . . . 0.0 110.003 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.98 154.36 81.69 Favored Pre-proline 0 N--CA 1.453 -0.301 0 C-N-CA 124.476 1.11 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.61 151.69 74.05 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.506 2.137 . . . . 0.0 110.926 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -65.08 -1.0 1.86 Allowed 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.525 0.73 . . . . 0.0 112.453 172.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.03 -19.81 65.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.831 0.853 . . . . 0.0 111.648 168.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.37 141.33 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.237 1.015 . . . . 0.0 110.303 174.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.74 23.6 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.205 -0.309 . . . . 0.0 111.313 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -137.74 133.57 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.59 . . . . 0.0 110.138 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.44 163.63 38.31 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.826 0.85 . . . . 0.0 111.367 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.74 159.36 19.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 166.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.83 -35.12 68.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -67.38 -26.68 66.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.2 mm -91.77 -37.41 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.454 0.702 . . . . 0.0 110.371 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -51.56 -36.64 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.147 0.979 . . . . 0.0 112.513 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.32 -30.57 66.78 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.396 0.678 . . . . 0.0 111.858 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.413 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -68.24 -20.9 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -92.29 -10.97 36.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.601 0.76 . . . . 0.0 112.461 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.0 -23.52 38.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 112.096 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.69 140.39 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 123.927 0.775 . . . . 0.0 111.448 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 164.01 37.66 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.062 0.945 . . . . 0.0 111.553 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.7 p -102.4 -7.55 21.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.354 1.062 . . . . 0.0 112.524 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.91 91.46 24.56 Favored Pre-proline 0 N--CA 1.454 -0.271 0 C-N-CA 124.177 0.991 . . . . 0.0 110.419 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -67.06 177.67 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.406 2.738 . . . . 0.0 113.137 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.455 -0.192 0 C-N-CA 123.885 0.874 . . . . 0.0 112.675 175.816 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.464 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.785 -0.08 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -113.65 114.58 26.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.618 1.567 . . . . 0.0 108.197 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.464 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -99.28 136.7 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.607 1.163 . . . . 0.0 109.461 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.01 142.76 27.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.313 1.445 . . . . 0.0 108.586 -168.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.48 117.37 30.18 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -171.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -124.95 131.89 53.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.735 0.814 . . . . 0.0 111.131 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -76.74 156.23 32.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.676 0.671 . . . . 0.0 110.881 169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.702 HG11 HG12 ' D' ' 25' ' ' VAL . 23.8 m -48.81 137.78 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.943 169.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.99 -3.69 86.81 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.383 0.992 . . . . 0.0 114.121 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -95.46 170.86 9.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.991 1.396 . . . . 0.0 112.068 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -127.42 155.26 43.94 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mt -137.59 160.07 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 127.51 2.324 . . . . 0.0 108.212 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -138.16 149.21 45.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.264 -0.897 . . . . 0.0 111.759 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.89 135.96 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.679 1.192 . . . . 0.0 109.083 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.53 -137.72 49.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.24 7.67 9.69 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.013 0.925 . . . . 0.0 111.824 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.72 -11.5 3.45 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -171.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.02 136.17 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.751 0.705 . . . . 0.0 110.719 -172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 59.7 m -122.46 149.71 43.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.404 1.082 . . . . 0.0 109.938 174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -132.15 144.11 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.1 1.76 . . . . 0.0 107.576 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -142.34 132.08 24.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.878 -0.514 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -86.96 90.06 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.22 -36.5 77.85 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.752 0.421 . . . . 0.0 110.687 -172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.43 -175.78 45.52 Favored Glycine 0 CA--C 1.524 0.603 0 CA-C-O 121.294 0.385 . . . . 0.0 112.983 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.702 HG12 HG11 ' D' ' 8' ' ' VAL . 10.3 p -124.74 134.21 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.806 1.242 . . . . 0.0 109.807 -177.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.2 m -135.68 89.76 2.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.944 0.898 . . . . 0.0 110.021 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.53 -114.15 5.77 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.458 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -101.52 -2.55 30.37 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.422 0.689 . . . . 0.0 110.822 173.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.44 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 63.3 mt-30 -76.41 155.27 34.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.528 0.68 . . . . 0.0 111.395 169.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.424 HG11 HG11 ' C' ' 30' ' ' VAL . 76.6 t -129.57 120.85 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 169.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -95.17 102.64 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.529 1.132 . . . . 0.0 108.517 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.19 124.54 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.564 0.745 . . . . 0.0 109.954 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.63 133.05 11.41 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -121.77 139.32 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.814 0.846 . . . . 0.0 108.759 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.07 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.155 0.582 . . . . 0.0 109.76 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.64 156.97 60.75 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.483 1.113 . . . . 0.0 109.815 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -61.67 151.46 80.29 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.082 1.855 . . . . 0.0 110.306 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.18 -0.95 1.92 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.297 0.639 . . . . 0.0 112.423 169.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -65.93 -24.11 66.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.855 1.262 . . . . 0.0 111.062 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.99 159.58 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.673 1.189 . . . . 0.0 110.539 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 157.13 16.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.141 0.577 . . . . 0.0 111.793 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.95 125.35 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.816 -0.552 . . . . 0.0 110.894 169.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -148.09 171.63 15.56 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.87 0.868 . . . . 0.0 111.845 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' C' ' 12' ' ' ILE . 71.4 mtm-85 -71.23 157.27 38.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 169.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.18 -29.1 70.23 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 121.806 -0.559 . . . . 0.0 111.8 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.49 -25.98 61.62 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.86 0.864 . . . . 0.0 112.801 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -88.05 -38.42 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.504 1.122 . . . . 0.0 110.784 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.47 -40.74 68.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.135 0.974 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.89 -22.09 66.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.502 ' HD3' ' C5 ' ' G' ' 7' ' ' ' C' . 13.3 ttt180 -76.85 -37.06 56.33 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.724 0.81 . . . . 0.0 111.563 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt -80.4 -40.43 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -77.26 2.1 16.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.184 0.994 . . . . 0.0 111.381 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -66.87 -19.62 65.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.521 0.729 . . . . 0.0 111.091 168.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.62 36.62 0.2 Allowed Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.954 -0.914 . . . . 0.0 114.095 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -159.2 -174.36 4.67 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.83 1.315 . . . . 0.0 113.763 -167.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 25.9 m -126.86 154.44 44.38 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.841 1.656 . . . . 0.0 107.638 167.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.16 124.84 7.07 Favored Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.5 168.41 13.08 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.121 1.881 . . . . 0.0 114.812 -172.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.843 -177.22 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ttt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.85 106.67 7.86 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 122.898 2.59 . . . . 0.0 109.888 165.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.7 136.62 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.613 1.165 . . . . 0.0 109.919 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.5 165.01 25.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.038 1.735 . . . . 0.0 110.66 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.65 7.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 167.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -115.48 128.52 56.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.997 1.719 . . . . 0.0 109.512 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -93.17 167.58 11.67 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 120.024 1.284 . . . . 0.0 112.589 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -60.82 138.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.588 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.74 84.64 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.132 0.872 . . . . 0.0 113.917 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -95.0 174.79 6.91 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.548 1.174 . . . . 0.0 111.691 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -133.79 157.3 46.25 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -169.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -138.38 159.42 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 126.957 2.103 . . . . 0.0 108.045 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -138.31 150.99 47.16 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.329 -0.857 . . . . 0.0 113.189 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -137.44 138.62 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.746 1.218 . . . . 0.0 109.081 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -138.88 48.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.72 10.11 7.72 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.956 0.902 . . . . 0.0 112.388 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.37 -12.13 5.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.44 135.29 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 119.309 0.959 . . . . 0.0 111.313 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.3 m -124.46 144.24 50.19 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.52 1.128 . . . . 0.0 109.989 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -124.64 139.65 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.164 1.386 . . . . 0.0 108.219 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.32 130.79 39.35 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.968 0.507 . . . . 0.0 110.09 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.26 103.14 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.13 -28.71 57.54 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.085 -0.385 . . . . 0.0 111.144 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -171.46 34.62 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.016 0.341 . . . . 0.0 113.841 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.5 158.85 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.809 0.843 . . . . 0.0 112.309 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.98 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.677 1.191 . . . . 0.0 109.295 168.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.79 -111.9 3.84 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.509 -0.745 . . . . 0.0 111.668 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -92.06 -17.79 24.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.77 0.785 . . . . 0.0 111.488 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.47 143.87 44.46 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.526 0.679 . . . . 0.0 110.049 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.28 112.91 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -85.7 125.79 33.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -133.42 135.1 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.334 0.653 . . . . 0.0 110.31 -169.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.23 143.36 15.65 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.526 1.06 . . . . 0.0 111.691 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -133.18 123.87 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.847 1.259 . . . . 0.0 108.915 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -124.06 99.58 6.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.153 0.581 . . . . 0.0 109.684 -172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.41 155.82 71.89 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.336 1.054 . . . . 0.0 110.455 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.95 159.0 35.7 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.825 2.35 . . . . 0.0 111.949 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -69.09 -0.91 6.46 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.413 0.685 . . . . 0.0 112.575 169.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.01 -23.45 67.22 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.758 1.223 . . . . 0.0 111.518 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -121.93 156.0 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.329 1.052 . . . . 0.0 110.848 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.11 155.68 17.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.713 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.09 125.09 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.069 0.548 . . . . 0.0 110.044 170.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -150.0 163.45 38.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.861 0.865 . . . . 0.0 110.662 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -69.0 159.56 32.59 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.48 -28.14 69.76 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.054 -0.404 . . . . 0.0 111.403 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.15 -45.08 79.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -83.83 -33.69 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.088 0.955 . . . . 0.0 109.88 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -55.0 -30.73 60.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.926 0.891 . . . . 0.0 112.63 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -61.6 -21.81 64.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.312 1.045 . . . . 0.0 112.895 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -77.88 -53.54 7.35 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 111.089 169.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -41.05 -63.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.066 0 C-N-CA 127.291 2.236 . . . . 0.0 113.402 -169.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.463 ' NE2' ' H ' ' E' ' 52' ' ' GLN . 0.0 OUTLIER -82.86 2.91 31.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.159 0.983 . . . . 0.0 113.074 -169.369 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.03 -12.12 60.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.124 0.57 . . . . 0.0 112.143 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.02 21.15 0.18 Allowed Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.411 -0.661 . . . . 0.0 113.798 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -102.04 -13.98 17.32 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.245 1.023 . . . . 0.0 112.324 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 24.8 p -64.26 -26.14 68.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.985 0.914 . . . . 0.0 111.899 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.7 130.1 24.77 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 124.784 1.234 . . . . 0.0 109.219 168.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -66.84 -177.79 1.08 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.715 2.277 . . . . 0.0 113.376 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 113.046 -179.12 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.11 147.58 22.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 122.017 -0.427 . . . . 0.0 111.525 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.07 137.46 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.131 0.973 . . . . 0.0 108.643 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 mt -136.63 164.97 26.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.402 1.081 . . . . 0.0 109.366 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.22 97.96 4.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 169.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -104.9 162.05 13.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.518 1.127 . . . . 0.0 110.361 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.78 168.57 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -55.32 134.16 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.209 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.39 68.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.422 1.011 . . . . 0.0 114.685 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -91.14 175.44 6.94 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.06 1.43 . . . . 0.0 112.588 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.7 m -136.54 155.56 49.78 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.5 0.72 . . . . 0.0 112.775 -172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 36.7 mt -137.28 152.8 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 126.184 1.794 . . . . 0.0 108.764 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -120.66 148.74 43.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.879 0.872 . . . . 0.0 112.382 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.46 141.02 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.632 1.173 . . . . 0.0 108.758 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -135.25 52.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -120.9 3.95 10.51 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.044 0.938 . . . . 0.0 112.047 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.45 -12.56 1.36 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.4 137.24 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.187 0.903 . . . . 0.0 110.5 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -126.89 142.64 51.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.258 1.023 . . . . 0.0 110.35 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -123.22 134.7 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.46 1.504 . . . . 0.0 108.406 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.09 133.75 44.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.469 0.708 . . . . 0.0 110.051 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -95.39 106.21 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.63 -30.78 41.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.01 -0.431 . . . . 0.0 110.771 -171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 -176.04 34.61 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.037 0.351 . . . . 0.0 113.392 169.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.84 153.0 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.688 0.795 . . . . 0.0 111.853 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -141.91 89.9 2.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.084 1.354 . . . . 0.0 108.884 169.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.26 -103.25 1.05 Allowed Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.936 -0.477 . . . . 0.0 112.025 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -98.73 -22.18 16.02 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 117.567 0.683 . . . . 0.0 112.107 171.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -71.6 141.87 50.0 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 109.905 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -131.66 115.67 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -87.58 120.2 28.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.95 138.7 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.242 1.017 . . . . 0.0 109.564 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.57 16.6 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.904 0.764 . . . . 0.0 111.351 172.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.9 mt -131.84 130.51 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.47 1.108 . . . . 0.0 109.508 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -125.15 107.02 10.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.68 157.8 77.06 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 123.989 0.915 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.09 161.95 34.94 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.046 2.498 . . . . 0.0 112.283 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.9 -4.32 12.53 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.58 -24.18 66.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.237 1.415 . . . . 0.0 112.137 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -127.13 164.15 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.257 1.023 . . . . 0.0 110.974 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.33 13.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.087 0.555 . . . . 0.0 111.437 169.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.0 122.53 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.494 0.718 . . . . 0.0 109.831 171.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -153.06 175.28 13.16 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.721 0.808 . . . . 0.0 110.793 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -74.63 161.15 29.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -62.24 -30.45 71.12 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.144 -0.347 . . . . 0.0 111.771 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.02 -40.53 73.55 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.28 1.032 . . . . 0.0 111.79 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.92 -35.55 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.233 1.013 . . . . 0.0 110.447 -171.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -46.14 -40.55 11.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.696 1.598 . . . . 0.0 112.348 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.35 -22.02 17.62 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.243 1.017 . . . . 0.0 113.289 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.1 -22.9 38.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 111.272 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.524 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.3 mp -95.62 -27.06 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.709 1.203 . . . . 0.0 109.846 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -85.35 -51.53 6.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 170.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.85 -20.65 17.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -164.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.87 -25.97 0.47 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 118.869 0.759 . . . . 0.0 112.434 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.23 158.19 0.12 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 128.866 2.867 . . . . 0.0 113.25 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 41.9 p -93.57 -4.04 51.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.757 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.22 135.07 24.91 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.273 1.029 . . . . 0.0 109.789 169.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -65.52 179.3 1.71 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.903 2.402 . . . . 0.0 114.045 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.643 1.177 . . . . 0.0 112.966 177.051 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 112.181 3.981 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.654 3.454 . 0.328 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.381 4.181 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.44 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 111.792 3.592 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.58 3.38 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-O4' 114.461 3.758 . 0.023 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.502 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 O4'-C1'-N19 112.234 4.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C3'-C2'-C1' 103.868 2.631 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.375 0 O5'-C5'-C4' 113.473 2.338 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 0 C5'-C4'-C3' 109.994 -3.671 . 0.125 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.329 3.129 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-C3' 112.296 -2.136 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 C5'-C4'-C3' 108.392 -4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.315 -2.385 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.855 3.655 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 0 N19-C1'-C2' 109.214 -2.616 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-C3' 110.334 -3.444 . 0.586 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 110.963 2.763 . 0.43 2u . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 2 O4'-C1'-N19 114.286 6.086 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.404 4.204 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 1 O4'-C1'-N19 112.239 4.039 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 113.298 2.927 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.719 4.519 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 112.165 3.965 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 N19-C1'-C2' 108.688 -2.945 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 O4'-C1'-N19 111.385 3.185 . 0.61 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C5'-C4'-C3' 111.88 -2.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-C3' 112.219 -2.187 . 0.099 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 112.016 -2.323 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 111.593 3.393 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 100.314 -2.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.04 2.84 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 O4'-C1'-N19 112.293 4.093 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.275 -3.425 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C4'-C3'-C2' 99.571 -3.129 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 112.019 3.819 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 109.569 -3.954 . 0.707 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 O4'-C1'-N19 112.1 3.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C3'-C2'-C1' 103.851 2.612 . 0.317 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 113.505 5.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 C5'-C4'-C3' 108.768 -4.488 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 O4'-C1'-N19 112.316 4.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.592 4.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.081 2.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.525 4.325 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.563 -3.137 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . 0.476 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 112.354 4.154 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 104.951 3.835 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C4'-C3'-C2' 99.483 -3.217 . 0.011 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.27 3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.366 0 C5'-C4'-C3' 111.103 -2.931 . 0.447 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.404 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O5'-C5'-C4' 117.052 4.894 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C5'-C4'-C3' 112.019 -2.32 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 112.136 3.936 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 100.012 -2.688 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 O4'-C1'-N19 110.695 2.495 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 111.019 -2.987 . 0.01 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 2 C3'-C2'-C1' 105.391 4.323 . 0.185 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.335 4.135 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 O4'-C1'-N19 111.444 3.244 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.536 3.336 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.917 3.717 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C5'-C4'-C3' 111.275 -2.817 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C4'-C3'-C2' 98.887 -3.813 . 0.015 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 P-O3'-C3' 122.723 2.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C5'-C4'-C3' 111.073 -2.952 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 2 C5'-C4'-C3' 105.465 -6.69 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 P-O3'-C3' 125.529 4.857 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.131 2.931 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 112.137 3.937 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.375 3.175 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 112.048 3.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 118.983 -0.532 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 113.08 24.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.87 0.868 . . . . 0.0 109.646 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.77 136.31 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.926 0.891 . . . . 0.0 109.537 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.98 159.4 40.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.44 1.096 . . . . 0.0 110.066 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 m -128.02 100.93 6.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.776 0.83 . . . . 0.0 108.9 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -123.6 159.05 30.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.029 0.532 . . . . 0.0 111.11 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -110.0 161.71 15.25 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.991 0.917 . . . . 0.0 110.764 -168.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.96 123.77 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.859 0.464 . . . . 0.0 110.646 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.51 -2.73 65.23 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.469 1.033 . . . . 0.0 114.089 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -95.89 166.78 11.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.73 1.265 . . . . 0.0 112.139 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -132.9 152.78 51.82 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -168.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 3.5 mm -116.08 157.59 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 126.207 1.803 . . . . 0.0 109.808 169.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.41 136.86 48.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.186 0.995 . . . . 0.0 110.823 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.5 136.17 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.606 1.163 . . . . 0.0 110.05 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.49 -129.81 28.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -125.79 -1.78 7.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.895 0.878 . . . . 0.0 112.338 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -135.91 -18.78 1.58 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.8 mt -100.96 136.68 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.865 0.757 . . . . 0.0 110.301 -172.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -135.6 144.22 46.03 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.615 0.766 . . . . 0.0 109.331 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 mm -126.0 142.34 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 108.514 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -136.65 130.57 32.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.012 0.525 . . . . 0.0 110.077 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.33 101.95 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 169.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.22 -30.83 60.7 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.172 -0.33 . . . . 0.0 110.206 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -177.5 42.52 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 113.874 0.309 . . . . 0.0 113.874 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.82 152.98 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.312 1.045 . . . . 0.0 111.084 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -136.71 60.91 1.65 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.452 1.101 . . . . 0.0 109.677 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.59 -120.17 5.3 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.08 -12.63 56.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.513 0.725 . . . . 0.0 111.95 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -99.06 152.99 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.869 0.842 . . . . 0.0 112.0 170.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.19 138.2 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 126.63 1.972 . . . . 0.0 108.421 -169.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -119.59 104.29 10.16 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.44 136.94 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.824 1.649 . . . . 0.0 109.537 -170.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 139.26 14.69 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.762 0.696 . . . . 0.0 111.614 170.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.72 136.43 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.102 1.361 . . . . 0.0 108.353 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -123.81 74.99 1.31 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.529 1.132 . . . . 0.0 109.267 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.9 153.72 44.39 Favored Pre-proline 0 N--CA 1.453 -0.276 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.702 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.58 153.31 60.1 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.491 2.127 . . . . 0.0 110.569 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -66.49 -7.24 18.44 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.07 -26.56 66.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.991 0.917 . . . . 0.0 112.25 170.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.36 144.07 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.066 0.936 . . . . 0.0 112.145 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.53 143.04 40.64 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.089 1.355 . . . . 0.0 111.79 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.7 t -129.2 120.97 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.69 172.47 14.01 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.661 0.784 . . . . 0.0 111.468 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.17 159.57 14.86 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.646 0.778 . . . . 0.0 109.852 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.7 -25.79 66.7 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.068 0.849 . . . . 0.0 112.189 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -75.66 -7.39 54.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.64 -28.65 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 C-N-CA 124.423 1.089 . . . . 0.0 111.273 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -64.76 -31.76 73.13 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.423 -0.798 . . . . 0.0 110.506 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -75.5 -11.72 60.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.197 0.599 . . . . 0.0 111.742 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -33.15 31.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.227 1.011 . . . . 0.0 110.803 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG22 HE21 ' A' ' 52' ' ' GLN . 34.2 mt -64.09 -53.36 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.931 0.892 . . . . 0.0 108.839 171.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.612 HE21 HG22 ' A' ' 51' ' ' ILE . 78.4 mm-40 -84.09 5.07 27.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.657 0.783 . . . . 0.0 112.341 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.12 69.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.595 0.358 . . . . 0.0 111.009 168.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.11 18.29 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.013 -0.882 . . . . 0.0 113.521 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 56' ' ' THR . 15.2 mt -94.8 90.65 6.13 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.914 1.357 . . . . 0.0 108.201 -177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER 168.44 169.31 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 127.124 2.17 . . . . 0.0 108.287 -169.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.69 149.5 46.3 Favored Pre-proline 0 N--CA 1.453 -0.315 0 O-C-N 121.894 -0.504 . . . . 0.0 110.277 168.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.75 159.88 38.19 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.209 2.606 . . . . 0.0 111.821 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.175 0.99 . . . . 0.0 112.274 178.4 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -111.35 119.76 39.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.308 1.443 . . . . 0.0 107.19 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD11 " H5'" ' G' ' 52' ' ' ' A' . 62.7 mt -115.56 137.06 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -165.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.6 144.16 37.61 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.686 1.194 . . . . 0.0 110.863 -170.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.5 m -111.76 125.73 54.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.401 0.68 . . . . 0.0 109.588 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' B' ' 12' ' ' ILE . 6.4 mmp_? -133.24 139.54 47.01 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.484 1.113 . . . . 0.0 111.021 -174.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -81.71 155.4 25.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.904 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.58 130.25 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.11 -5.92 63.57 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.786 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -92.25 162.58 14.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.174 1.487 . . . . 0.0 111.984 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -128.69 156.54 43.32 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' B' ' 6' ' ' ARG . 38.3 mm -141.13 150.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.266 2.226 . . . . 0.0 108.482 -170.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.16 142.61 49.53 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 121.203 -0.936 . . . . 0.0 111.509 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.33 130.16 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.032 0.933 . . . . 0.0 109.659 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.41 50.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -125.04 5.04 7.93 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.869 0.868 . . . . 0.0 112.769 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -115.63 -20.62 10.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.91 136.79 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.003 0.82 . . . . 0.0 111.395 -169.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -130.43 147.65 52.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.008 1.323 . . . . 0.0 109.609 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -130.33 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.679 1.592 . . . . 0.0 108.172 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -135.8 130.98 34.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.782 0.433 . . . . 0.0 110.295 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.73 109.27 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 169.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -80.49 -30.5 37.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.772 -0.58 . . . . 0.0 111.143 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 179.97 36.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 113.424 0.129 . . . . 0.0 113.424 170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.9 151.69 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.359 0.664 . . . . 0.0 110.848 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -132.95 79.47 1.84 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.801 1.24 . . . . 0.0 108.565 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.61 -114.97 4.61 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.97 7.38 39.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.743 0.817 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.89 146.63 25.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.596 1.158 . . . . 0.0 109.357 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -137.01 119.7 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.303 0.641 . . . . 0.0 109.593 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 120.76 30.74 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.882 1.273 . . . . 0.0 109.469 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.24 133.69 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.11 0.964 . . . . 0.0 109.921 -169.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.28 139.56 14.53 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mt -122.55 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 123.957 0.903 . . . . 0.0 108.815 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -131.84 80.73 1.93 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.532 -167.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.84 157.15 72.52 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.467 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -57.36 153.48 40.43 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.708 1.605 . . . . 0.0 110.399 169.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.596 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.8 mmtm -68.39 -0.62 5.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.103 0.561 . . . . 0.0 111.88 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -29.53 69.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.403 1.481 . . . . 0.0 111.58 172.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -105.21 144.11 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.251 1.02 . . . . 0.0 110.401 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.83 28.38 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.722 0.772 . . . . 0.0 111.33 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.76 95.75 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 -166.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.49 157.52 44.66 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.755 -0.59 . . . . 0.0 111.29 176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.8 ptt-85 -67.41 155.76 38.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.537 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -54.39 -41.1 68.86 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.36 0.664 . . . . 0.0 112.479 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.73 -23.17 67.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -87.32 -50.21 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.215 1.006 . . . . 0.0 110.414 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -51.32 -35.9 40.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.663 1.185 . . . . 0.0 112.043 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.37 -21.06 62.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.69 -37.18 27.8 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.373 0.988 . . . . 0.0 110.62 169.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.484 HG22 ' NE2' ' B' ' 52' ' ' GLN . 88.9 mt -64.58 -41.67 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.484 ' NE2' HG22 ' B' ' 51' ' ' ILE . 37.3 mm-40 -79.35 5.09 13.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 172.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.77 -20.74 41.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.009 0.523 . . . . 0.0 111.896 169.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.97 46.16 0.06 OUTLIER Glycine 0 C--N 1.337 0.637 0 CA-C-O 119.347 -0.696 . . . . 0.0 114.679 168.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.0 -176.18 2.56 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 118.022 0.911 . . . . 0.0 112.894 -168.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 9.3 m -122.71 170.56 9.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.309 1.444 . . . . 0.0 108.537 168.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.96 118.77 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.078 1.351 . . . . 0.0 111.891 176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 48.6 Cg_exo -66.19 176.46 3.9 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.595 2.197 . . . . 0.0 113.311 -170.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.108 0.963 . . . . 0.0 112.544 177.608 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.37 108.7 19.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 166.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.57 135.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.837 0.855 . . . . 0.0 109.842 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -128.78 134.97 48.56 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.761 0.824 . . . . 0.0 109.487 168.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -92.66 144.76 25.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 110.094 169.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.406 HH11 ' HB2' ' C' ' 6' ' ' ARG . 1.5 mtp-105 -146.08 164.0 33.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 171.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 4.7 tptm -100.36 155.54 17.74 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.934 0.894 . . . . 0.0 109.369 170.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.74 134.18 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 118.189 0.45 . . . . 0.0 111.596 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.85 -7.07 64.88 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.946 1.26 . . . . 0.0 114.743 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.12 175.31 6.99 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.342 1.571 . . . . 0.0 112.976 -173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -128.52 153.04 47.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -170.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.6 156.83 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.547 2.339 . . . . 0.0 108.392 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -125.3 148.84 48.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.887 0.875 . . . . 0.0 111.91 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.22 131.8 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.543 1.137 . . . . 0.0 108.721 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.09 -138.22 43.11 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -170.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -122.19 9.91 9.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.184 0.993 . . . . 0.0 111.947 169.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -118.48 -17.71 9.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.366 1.066 . . . . 0.0 113.223 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.42 140.87 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.774 0.715 . . . . 0.0 111.099 -169.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -129.11 140.8 51.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.758 1.223 . . . . 0.0 109.395 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -119.27 135.61 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.829 1.252 . . . . 0.0 108.737 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -128.89 133.56 47.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.335 0.654 . . . . 0.0 109.79 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 tp -94.7 126.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.54 -38.98 7.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -171.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.46 -173.53 44.9 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.846 168.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.28 155.06 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -144.44 102.94 3.9 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.552 1.141 . . . . 0.0 108.965 170.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.91 -119.49 15.15 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -171.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.43 -0.56 43.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.087 0.955 . . . . 0.0 111.843 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 23.5 mt-30 -88.56 155.23 19.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.647 0.737 . . . . 0.0 111.66 173.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.57 122.64 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.086 1.354 . . . . 0.0 108.266 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -84.26 113.72 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 mt -118.05 132.26 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.358 1.463 . . . . 0.0 109.511 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.55 140.23 15.01 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.315 0.959 . . . . 0.0 111.949 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.14 127.93 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.582 1.153 . . . . 0.0 108.384 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -128.33 95.13 4.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.082 -0.386 . . . . 0.0 110.247 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.92 157.23 78.25 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 124.654 1.181 . . . . 0.0 110.254 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.21 151.22 83.43 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.522 2.148 . . . . 0.0 111.01 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.28 -0.99 2.91 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.265 0.626 . . . . 0.0 112.645 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.88 -22.24 66.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.321 1.048 . . . . 0.0 111.508 169.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.62 147.14 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.113 0.965 . . . . 0.0 110.406 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.58 156.76 20.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.594 0.358 . . . . 0.0 111.393 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -137.78 131.61 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.182 0.593 . . . . 0.0 109.817 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -155.1 164.24 39.14 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.365 0.666 . . . . 0.0 111.788 -174.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -75.56 157.29 34.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 166.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.78 -35.81 77.37 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.591 0.632 . . . . 0.0 111.69 -175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.68 -17.58 61.63 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.56 -36.88 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.672 0.789 . . . . 0.0 110.616 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -52.63 -34.83 53.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.087 1.355 . . . . 0.0 112.5 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -59.49 -29.46 67.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.768 0.827 . . . . 0.0 112.428 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -69.09 -36.56 77.72 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.637 0.775 . . . . 0.0 111.816 173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.537 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.7 mp -69.8 -19.86 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 O-C-N 121.927 -0.483 . . . . 0.0 109.808 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -90.84 -1.07 57.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.189 0.596 . . . . 0.0 112.119 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.22 -23.34 16.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.405 1.082 . . . . 0.0 112.767 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.01 131.18 3.68 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -175.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.7 mm? -102.46 -20.38 14.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.314 0.646 . . . . 0.0 112.315 -169.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 58.02 17.8 4.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.15 1.38 . . . . 0.0 112.792 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.04 96.79 2.29 Favored Pre-proline 0 N--CA 1.454 -0.259 0 C-N-CA 124.263 1.025 . . . . 0.0 109.97 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.2 145.48 88.98 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.057 2.505 . . . . 0.0 112.242 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 125.758 1.623 . . . . 0.0 114.112 175.359 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.475 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.2 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -116.21 115.23 25.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.202 1.801 . . . . 0.0 106.867 166.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -100.43 134.99 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 109.429 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 55.1 mt -123.66 171.15 9.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.153 1.381 . . . . 0.0 110.12 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.64 109.88 8.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.04 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.35 148.92 45.54 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.784 0.834 . . . . 0.0 110.822 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 14.2 mmtp -76.96 160.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.207 0.527 . . . . 0.0 111.561 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.88 138.69 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.41 0.684 . . . . 0.0 111.345 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.34 -4.97 85.84 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.16 0.886 . . . . 0.0 113.917 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.99 167.6 13.56 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.952 1.376 . . . . 0.0 112.463 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.03 154.45 44.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.831 0.852 . . . . 0.0 112.4 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -144.27 160.57 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 127.466 2.307 . . . . 0.0 107.973 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -139.88 152.27 46.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.223 -0.923 . . . . 0.0 112.71 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.07 138.75 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.039 1.335 . . . . 0.0 109.001 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.02 -136.05 50.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.92 10.03 8.21 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.316 1.046 . . . . 0.0 111.573 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -134.41 -11.88 2.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -170.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.43 137.06 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.788 0.722 . . . . 0.0 110.559 -172.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 46.5 m -120.25 145.48 46.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.396 1.078 . . . . 0.0 109.924 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -127.07 139.12 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.532 1.533 . . . . 0.0 107.843 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 9.4 m -136.01 128.13 29.8 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.63 105.25 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.28 -30.29 48.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.126 0.57 . . . . 0.0 110.59 -173.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.56 -172.11 39.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 169.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -111.75 161.02 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.492 0.717 . . . . 0.0 110.745 169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -144.63 77.06 1.52 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.594 0.758 . . . . 0.0 109.711 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.47 -114.44 3.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -174.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.8 mp0 -95.64 -1.29 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.401 0.68 . . . . 0.0 110.179 171.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -76.38 154.63 34.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.461 0.648 . . . . 0.0 112.363 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.19 120.99 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.716 1.606 . . . . 0.0 107.205 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -95.68 114.64 26.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.454 1.102 . . . . 0.0 108.58 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.03 129.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.217 0.607 . . . . 0.0 110.409 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.22 136.77 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.74 140.74 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 171.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -137.98 90.88 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.233 0.613 . . . . 0.0 109.543 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.91 156.73 65.17 Favored Pre-proline 0 N--CA 1.452 -0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.139 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.72 152.01 83.56 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.392 2.061 . . . . 0.0 110.535 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -69.95 -1.03 8.47 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.85 -22.23 65.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.616 1.166 . . . . 0.0 111.308 168.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -126.19 160.08 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.401 1.08 . . . . 0.0 110.657 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.68 157.02 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.053 0.541 . . . . 0.0 112.075 -175.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.8 124.08 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 122.844 0.458 . . . . 0.0 110.501 169.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -149.71 161.25 42.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.354 0.662 . . . . 0.0 112.291 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -64.86 156.0 32.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.698 0.399 . . . . 0.0 109.999 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.02 -33.14 70.4 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.031 0.532 . . . . 0.0 111.957 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.12 -47.62 85.13 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.055 0.942 . . . . 0.0 111.641 172.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -74.26 -39.5 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 124.29 1.036 . . . . 0.0 110.305 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -51.53 -38.46 54.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.4 -24.25 62.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.92 -36.36 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.283 0.947 . . . . 0.0 110.176 170.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -81.94 -41.35 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -76.21 1.96 14.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.095 0.558 . . . . 0.0 111.724 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.68 -15.1 62.47 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.659 0.784 . . . . 0.0 111.198 168.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.46 33.62 0.48 Allowed Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.965 -0.908 . . . . 0.0 114.271 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.26 -169.16 1.9 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.74 1.27 . . . . 0.0 113.291 -167.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 19.7 p -128.07 163.06 25.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.915 1.686 . . . . 0.0 108.667 166.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.12 129.89 23.29 Favored Pre-proline 0 N--CA 1.454 -0.248 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -168.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -65.53 176.76 3.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.964 2.443 . . . . 0.0 114.193 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.453 -0.323 0 C-N-CA 124.538 1.135 . . . . 0.0 112.458 177.098 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ttt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt -86.77 116.07 24.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.38 0.991 . . . . 0.0 110.59 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.88 140.22 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.825 1.25 . . . . 0.0 109.59 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -137.86 160.33 39.57 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.159 1.383 . . . . 0.0 111.221 -171.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.79 100.7 4.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 166.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.6 mmp_? -117.77 143.16 46.5 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 124.61 1.164 . . . . 0.0 112.167 -168.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -85.45 159.17 20.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.745 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -59.21 135.54 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 111.257 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -7.89 77.64 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.204 0.907 . . . . 0.0 114.44 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.33 164.65 16.14 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.075 1.438 . . . . 0.0 111.913 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -136.26 152.73 51.03 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.414 HD11 ' CD ' ' E' ' 6' ' ' ARG . 45.1 mm -137.94 150.96 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 126.972 2.109 . . . . 0.0 108.156 -170.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -132.05 144.37 50.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.335 -0.853 . . . . 0.0 112.009 -169.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -134.4 139.7 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.59 1.156 . . . . 0.0 109.207 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.04 -134.42 52.4 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.43 9.66 7.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.648 0.779 . . . . 0.0 111.54 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -136.49 -8.52 1.94 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -169.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.45 134.86 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.947 0.794 . . . . 0.0 110.506 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -128.54 142.42 51.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.008 0.923 . . . . 0.0 110.459 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mm -120.37 140.48 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.722 1.609 . . . . 0.0 108.092 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -137.59 126.15 23.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.12 0.568 . . . . 0.0 109.997 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -75.45 111.13 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 169.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.51 -35.08 53.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.158 -0.339 . . . . 0.0 110.147 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 178.5 31.94 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.077 0.37 . . . . 0.0 113.388 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -106.46 156.94 6.95 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 C-N-CA 123.539 0.735 . . . . 0.0 111.909 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -148.6 89.93 1.74 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.5 1.12 . . . . 0.0 109.521 169.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 -109.45 2.88 Favored Glycine 0 CA--C 1.525 0.679 0 O-C-N 121.698 -0.627 . . . . 0.0 111.765 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -95.0 -22.29 18.04 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.61 0.705 . . . . 0.0 111.776 171.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -73.28 146.11 45.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.344 0.592 . . . . 0.0 110.199 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.82 116.01 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -89.65 123.69 33.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.49 126.9 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.97 0.908 . . . . 0.0 110.191 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.04 142.1 16.68 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.077 0.846 . . . . 0.0 111.55 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -134.49 123.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.019 1.327 . . . . 0.0 108.779 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -125.14 99.93 6.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.065 0.546 . . . . 0.0 109.556 -170.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.32 155.55 73.97 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 124.476 1.11 . . . . 0.0 110.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.86 158.62 46.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.161 2.574 . . . . 0.0 112.148 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -72.48 -0.88 13.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 172.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.82 -21.62 66.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.289 1.036 . . . . 0.0 111.514 169.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -124.19 159.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.168 0.987 . . . . 0.0 110.705 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.53 155.99 16.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.08 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . 0.402 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.83 125.26 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.984 0.514 . . . . 0.0 110.273 169.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -151.42 169.41 22.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.58 1.152 . . . . 0.0 109.589 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 29.6 ptt-85 -78.5 166.46 22.57 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.622 -0.674 . . . . 0.0 110.523 169.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -62.41 -26.06 68.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.14 -48.97 79.51 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.046 0.938 . . . . 0.0 111.888 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -79.79 -32.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.716 0.806 . . . . 0.0 109.878 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.1 -34.71 63.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.404 1.082 . . . . 0.0 112.824 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.45 -25.15 65.75 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.475 0.71 . . . . 0.0 112.436 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -72.52 -22.88 60.97 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.662 0.785 . . . . 0.0 110.679 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 82.3 mt -96.13 -48.18 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.012 0.925 . . . . 0.0 109.494 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -71.29 3.03 3.99 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.26 67.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.701 0.8 . . . . 0.0 112.269 169.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.39 29.62 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.304 -0.72 . . . . 0.0 114.681 169.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.54 178.91 9.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.376 1.088 . . . . 0.0 111.859 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.36 -0.13 3.66 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.329 0.651 . . . . 0.0 112.036 170.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.94 131.48 16.82 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 123.881 0.872 . . . . 0.0 110.079 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -63.79 179.92 0.9 Allowed 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.285 2.656 . . . . 0.0 113.856 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.203 1.001 . . . . 0.0 112.819 -173.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . 0.402 HD12 HG13 ' E' ' 42' ' ' VAL . 7.8 mt -93.5 150.91 20.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.881 -0.512 . . . . 0.0 111.55 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.36 124.84 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.44 152.04 29.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.458 1.503 . . . . 0.0 109.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 106.78 12.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 54.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.092 1.357 . . . . 0.0 110.002 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.11 165.13 13.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.33 0.968 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.54 136.1 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.294 -169.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.89 76.7 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.297 0.951 . . . . 0.0 114.109 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.69 172.16 7.88 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.628 1.214 . . . . 0.0 111.693 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -134.57 157.31 46.89 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 54.1 mt -136.41 154.74 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 126.256 1.822 . . . . 0.0 108.735 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.21 148.02 51.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.802 0.841 . . . . 0.0 111.828 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -135.14 140.21 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.386 1.074 . . . . 0.0 109.193 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.38 -138.01 49.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.82 9.88 11.46 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.927 0.891 . . . . 0.0 111.706 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.82 -14.86 1.05 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.6 138.96 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.328 0.967 . . . . 0.0 110.706 -172.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -128.63 141.01 51.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.031 0.933 . . . . 0.0 110.53 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -120.34 140.53 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.669 1.588 . . . . 0.0 108.203 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -133.8 128.45 34.78 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.039 0.536 . . . . 0.0 109.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.13 106.2 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 169.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.29 -28.62 42.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.426 0.69 . . . . 0.0 110.897 -173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.84 -172.16 35.6 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.318 0.485 . . . . 0.0 112.871 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.01 149.3 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.365 0.666 . . . . 0.0 111.194 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -139.24 89.91 2.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.774 1.23 . . . . 0.0 108.534 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.85 -124.49 34.33 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 -172.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -79.14 -18.36 53.3 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.08 143.88 33.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.375 0.607 . . . . 0.0 110.36 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 76.0 t -131.73 121.01 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 21.5 ttm105 -91.61 124.7 35.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.957 0.903 . . . . 0.0 109.026 -172.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.68 146.41 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.697 0.799 . . . . 0.0 110.527 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.81 143.69 15.93 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.953 0.787 . . . . 0.0 111.455 172.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.62 129.63 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 109.651 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -124.53 109.39 13.17 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 157.2 74.73 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 123.739 0.816 . . . . 0.0 111.328 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.52 161.87 36.47 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.064 2.509 . . . . 0.0 112.369 172.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.32 -4.31 10.45 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.416 0.686 . . . . 0.0 112.749 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.0 -24.4 66.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.338 1.455 . . . . 0.0 112.333 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -124.0 164.3 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.928 0.891 . . . . 0.0 111.268 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.26 159.19 15.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.305 0.642 . . . . 0.0 111.226 169.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.06 125.5 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.051 0.54 . . . . 0.0 110.406 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -154.1 171.6 18.85 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 110.944 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -82.16 161.92 22.62 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.102 -0.374 . . . . 0.0 109.999 167.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -18.69 65.51 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -170.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.97 -41.6 87.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.54 0.736 . . . . 0.0 111.231 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -88.72 -36.11 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.778 0.831 . . . . 0.0 109.924 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.24 -30.5 50.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.589 0.756 . . . . 0.0 112.629 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.88 -21.72 61.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.76 1.224 . . . . 0.0 112.946 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.94 -51.05 11.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.283 0.633 . . . . 0.0 111.551 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.32 -63.0 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 127.055 2.142 . . . . 0.0 113.773 -168.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' H ' ' F' ' 52' ' ' GLN . 0.0 OUTLIER -77.21 -0.56 25.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.727 0.811 . . . . 0.0 113.185 -172.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.08 -19.91 60.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.922 -0.486 . . . . 0.0 111.892 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.09 37.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.524 -0.598 . . . . 0.0 113.37 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.84 -163.02 0.99 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.447 1.099 . . . . 0.0 109.686 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 28.2 p 60.64 -4.6 0.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 127.07 2.148 . . . . 0.0 114.648 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.72 88.59 9.51 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 124.877 1.271 . . . . 0.0 109.833 170.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -65.01 -176.53 0.47 Allowed 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.516 2.811 . . . . 0.0 112.508 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.216 0 C-N-CA 124.146 0.978 . . . . 0.0 112.469 173.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 O4'-C1'-N19 111.604 3.404 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.507 3.307 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 112.203 4.003 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 C5'-C4'-O4' 114.113 3.509 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 C5'-C4'-C3' 109.278 -4.148 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 0 C4'-C3'-C2' 98.781 -3.919 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 1 C5'-C4'-C3' 108.624 -4.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C3'-C2'-C1' 103.873 2.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.369 0 P-O3'-C3' 122.145 2.038 . 0.014 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 C5'-C4'-C3' 110.262 -3.492 . 0.14 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.26 3.06 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.413 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 C5'-C4'-C3' 112.05 -2.3 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 C5'-C4'-C3' 108.506 -4.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C4'-C3'-C2' 100.497 -2.203 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 111.841 3.641 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O4'-C1'-N19 110.864 2.664 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 112.593 4.393 . 0.521 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.451 3.251 . 0.733 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 O4'-C1'-N19 113.419 5.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.568 4.368 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 1 O4'-C1'-N19 112.461 4.261 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C5'-C4'-O4' 113.299 2.928 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 O4'-C1'-N19 112.545 4.345 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.065 3.865 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 N19-C1'-C2' 108.626 -2.984 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C4'-C3'-C2' 98.713 -3.987 . 0.551 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.516 ' N3 ' " H2'" ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 C5'-C4'-C3' 106.17 -6.22 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.596 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 111.323 -2.785 . 0.204 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 C5'-C4'-C3' 111.432 -2.712 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 0 O4'-C1'-N19 111.023 2.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C4'-C3'-C2' 100.401 -2.299 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.163 2.963 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.413 4.213 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C4'-C3'-C2' 99.224 -3.476 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.491 -3.209 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 1 O4'-C1'-N19 112.248 4.048 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 O4'-C1'-N19 113.031 4.831 . 0.06 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.467 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 111.596 -2.603 . 0.302 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.467 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.13 2.922 . 0.089 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 1 O4'-C1'-N19 112.66 4.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 1 C5'-C4'-C3' 108.846 -4.436 . 0.039 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 1 O4'-C1'-N19 112.362 4.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 110.618 -3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 111.717 3.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 O4'-C1'-N19 112.284 4.084 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.308 3.108 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 0 O4'-C1'-N19 111.609 3.409 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 C3'-C2'-C1' 105.453 4.392 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 99.835 -2.865 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.269 3.069 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C5'-C4'-C3' 111.21 -2.86 . 0.443 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.407 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O5'-C5'-C4' 117.383 5.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 C5'-C4'-C3' 112.378 -2.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.241 4.041 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C4'-C3'-C2' 100.286 -2.414 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 110.687 2.487 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 110.307 -3.462 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 O4'-C4'-C3' 108.139 1.885 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.898 3.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 O4'-C1'-N19 111.587 3.387 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 0 O4'-C1'-N19 111.464 3.264 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C3'-C2'-C1' 104.369 3.187 . 0.489 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.464 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 C5'-C4'-C3' 109.471 -4.019 . 0.297 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.464 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C4'-C3'-C2' 100.114 -2.586 . 0.094 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 110.819 2.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 0 C5'-C4'-C3' 111.373 -2.751 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 2 C5'-C4'-C3' 105.958 -6.361 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 1 P-O3'-C3' 125.659 4.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.682 2.482 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 112.065 3.865 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.408 3.208 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 O4'-C1'-N19 113.056 4.856 . 0.351 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 108.63 21.38 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.579 0.751 . . . . 0.0 109.493 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.76 135.23 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.629 0.772 . . . . 0.0 109.204 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -133.36 159.17 41.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.59 1.156 . . . . 0.0 109.652 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.5 m -122.74 100.96 7.18 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -95.94 166.65 11.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.922 0.489 . . . . 0.0 110.365 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -129.1 157.0 42.99 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.66 121.25 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.939 0.495 . . . . 0.0 110.945 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.91 -4.84 57.76 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.755 1.169 . . . . 0.0 114.647 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -92.75 165.57 12.88 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.909 1.354 . . . . 0.0 112.034 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -137.31 149.39 47.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -169.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 24.8 mm -113.2 153.79 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 125.848 1.659 . . . . 0.0 109.548 169.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -125.69 138.11 53.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.559 1.144 . . . . 0.0 109.831 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -132.9 131.57 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.134 0.973 . . . . 0.0 109.532 -171.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.05 -127.03 27.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.0 0.76 5.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.704 0.802 . . . . 0.0 112.353 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -135.05 -21.27 1.65 Allowed 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 mt -102.28 138.89 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.407 0.683 . . . . 0.0 110.36 -170.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -135.25 145.28 47.44 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.774 0.829 . . . . 0.0 109.663 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.87 141.09 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.822 1.249 . . . . 0.0 108.334 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -139.53 135.96 34.0 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.498 0.59 . . . . 0.0 110.316 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -85.22 99.82 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -25.15 58.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.723 -0.611 . . . . 0.0 110.719 -175.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.22 42.36 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 118.148 0.431 . . . . 0.0 113.853 169.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -130.58 155.23 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.044 0.938 . . . . 0.0 111.685 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -141.6 65.71 1.37 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.893 1.277 . . . . 0.0 109.996 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.22 -119.98 5.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -80.82 -4.41 54.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.194 0.598 . . . . 0.0 111.786 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -99.22 159.93 14.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.88 0.848 . . . . 0.0 112.745 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.78 128.36 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 126.0 1.72 . . . . 0.0 108.441 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -104.67 101.96 11.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.068 0.947 . . . . 0.0 110.397 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -108.2 130.48 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.184 1.394 . . . . 0.0 109.386 -174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.39 141.27 15.24 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.709 0.671 . . . . 0.0 111.599 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 mt -120.99 131.23 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.317 1.447 . . . . 0.0 108.025 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.23 74.99 1.27 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.23 1.014 . . . . 0.0 109.261 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.79 153.45 39.29 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.837 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.67 154.22 59.54 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.505 2.136 . . . . 0.0 110.509 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -68.11 -5.97 20.55 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -67.36 -25.6 66.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.984 0.914 . . . . 0.0 112.146 169.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -117.24 144.04 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.013 0.911 . . . . 0.0 111.909 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.84 143.07 44.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.392 1.077 . . . . 0.0 111.46 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.15 120.16 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.033 0.533 . . . . 0.0 109.699 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.547 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.6 m-70 -148.66 -175.92 5.12 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.847 0.859 . . . . 0.0 110.699 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -124.89 170.1 11.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 170.349 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -59.7 -39.49 84.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -71.36 -6.53 40.8 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.91 -28.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 110.869 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -64.11 -31.91 73.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -74.4 -15.31 60.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.791 0.837 . . . . 0.0 111.671 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -77.9 -33.23 51.98 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.044 0.938 . . . . 0.0 111.083 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.563 HG22 HE21 ' A' ' 52' ' ' GLN . 20.5 mt -64.19 -53.28 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.75 0.82 . . . . 0.0 109.019 172.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 HE21 HG22 ' A' ' 51' ' ' ILE . 78.5 mm-40 -84.08 5.08 27.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.822 0.849 . . . . 0.0 112.269 -173.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -28.69 67.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.996 0.518 . . . . 0.0 110.957 168.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.82 10.05 0.04 OUTLIER Glycine 0 CA--C 1.526 0.726 0 CA-C-O 119.16 -0.8 . . . . 0.0 113.637 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 56' ' ' THR . 20.8 mt -85.54 90.66 8.03 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.848 1.324 . . . . 0.0 108.554 -172.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 55' ' ' LEU . 2.6 p 174.97 -40.79 0.01 OUTLIER 'General case' 0 C--O 1.231 0.095 0 C-N-CA 126.773 2.029 . . . . 0.0 108.125 -169.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.92 158.99 30.67 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 125.54 1.536 . . . . 0.0 111.707 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -73.88 163.56 36.72 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.488 2.792 . . . . 0.0 112.558 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 N--CA 1.452 -0.366 0 C-N-CA 124.958 1.303 . . . . 0.0 111.744 177.344 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.18 121.98 41.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 107.133 169.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.68 139.83 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.903 0.481 . . . . 0.0 111.675 -165.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.07 140.33 46.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.578 1.151 . . . . 0.0 110.587 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -116.82 102.94 9.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -128.23 159.19 36.0 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.216 1.006 . . . . 0.0 110.828 -169.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -91.88 165.93 12.99 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.82 135.96 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.238 0.542 . . . . 0.0 110.819 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.06 78.73 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.138 -0.812 . . . . 0.0 114.42 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.77 158.16 25.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 119.104 1.452 . . . . 0.0 112.232 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -125.7 144.75 50.47 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.422 1.089 . . . . 0.0 111.37 -173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 14.1 mt -136.7 153.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.51 1.524 . . . . 0.0 109.57 -169.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -137.31 140.56 41.61 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.696 -0.628 . . . . 0.0 112.378 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.72 132.43 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 124.169 0.988 . . . . 0.0 109.802 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.74 -139.41 48.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -119.05 0.83 11.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.35 -20.32 9.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.542 0.737 . . . . 0.0 112.962 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.1 135.08 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-O 121.685 0.755 . . . . 0.0 110.952 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -130.66 149.19 52.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.76 1.224 . . . . 0.0 109.652 170.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -128.86 141.91 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.98 1.712 . . . . 0.0 108.014 -176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.41 127.93 32.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.76 0.424 . . . . 0.0 109.994 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -81.92 105.95 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.4 -30.9 57.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.943 -0.473 . . . . 0.0 110.946 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.87 -179.24 35.56 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 113.287 0.075 . . . . 0.0 113.287 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -111.03 149.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.065 0.546 . . . . 0.0 110.676 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.4 t -132.0 74.76 1.6 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.48 1.112 . . . . 0.0 108.444 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -117.81 4.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -173.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.13 8.9 44.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.909 0.484 . . . . 0.0 110.741 175.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.93 156.7 16.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.149 0.979 . . . . 0.0 110.33 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.01 113.23 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.703 1.201 . . . . 0.0 108.944 -168.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 120.86 29.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.545 1.138 . . . . 0.0 109.649 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.35 131.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.29 1.036 . . . . 0.0 109.967 -169.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.94 138.79 14.23 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.97 132.3 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.912 0.863 . . . . 0.0 109.314 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -131.33 79.68 1.9 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.388 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.13 156.27 72.33 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.744 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -57.84 155.35 33.2 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 121.697 1.598 . . . . 0.0 110.75 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.613 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.8 mmtm -71.7 -0.69 11.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.971 -0.456 . . . . 0.0 112.057 171.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -25.82 67.31 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.158 1.383 . . . . 0.0 112.128 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.6 144.17 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.98 0.912 . . . . 0.0 110.528 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 142.49 28.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.511 0.672 . . . . 0.0 111.737 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.51 98.2 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.701 -166.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.48 158.33 43.94 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.865 -0.522 . . . . 0.0 111.968 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.3 ptt-85 -63.14 156.51 24.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.855 0.462 . . . . 0.0 111.27 169.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -39.33 73.06 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -173.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.93 -6.21 26.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.13 -50.93 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.941 0.896 . . . . 0.0 110.027 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -50.74 -36.89 38.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.647 1.179 . . . . 0.0 112.066 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.26 -21.59 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -78.99 -42.12 27.41 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.041 0.837 . . . . 0.0 110.3 169.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' B' ' 52' ' ' GLN . 96.7 mt -63.52 -38.89 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' B' ' 51' ' ' ILE . 27.3 mm-40 -81.49 5.07 18.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.8 -20.02 39.99 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 111.734 169.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 47.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.596 0 C-N-CA 123.467 0.556 . . . . 0.0 114.209 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.01 -176.4 2.62 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.614 0.707 . . . . 0.0 112.504 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.5 p -128.13 -177.88 4.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.029 1.332 . . . . 0.0 109.397 167.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 125.27 1.73 Allowed Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 124.217 1.007 . . . . 0.0 111.69 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.14 153.6 12.31 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.979 3.119 . . . . 0.0 113.15 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 169.727 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.3 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 105.9 15.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.426 1.09 . . . . 0.0 108.43 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.75 132.75 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.549 0.74 . . . . 0.0 109.22 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.92 134.95 51.4 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.494 0.718 . . . . 0.0 109.329 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -89.91 140.78 29.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.919 0.488 . . . . 0.0 110.025 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -146.11 124.01 12.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.555 -0.26 . . . . 0.0 110.558 -175.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.5 tptm -75.51 152.09 37.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.93 136.67 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 O-C-N 121.813 -0.555 . . . . 0.0 111.991 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.69 -4.26 83.58 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.764 1.173 . . . . 0.0 114.25 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -91.11 171.55 9.18 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.229 1.514 . . . . 0.0 111.975 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -128.91 158.12 39.69 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -167.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -139.8 160.04 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 127.907 2.483 . . . . 0.0 108.569 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.55 149.12 52.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.206 1.002 . . . . 0.0 112.475 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -134.64 143.43 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.811 1.244 . . . . 0.0 109.034 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 -142.34 42.86 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 123.955 0.788 . . . . 0.0 111.847 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -115.95 7.58 14.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.081 0.952 . . . . 0.0 111.285 169.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -131.76 -11.47 3.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -168.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.28 138.99 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.953 0.797 . . . . 0.0 111.231 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.8 m -124.46 138.06 54.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.713 1.205 . . . . 0.0 109.333 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mm -118.16 137.02 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.566 1.146 . . . . 0.0 108.348 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -132.82 127.95 35.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.11 -0.369 . . . . 0.0 110.307 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -82.31 120.21 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -95.2 -38.89 10.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.11 178.76 44.27 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.272 -0.489 . . . . 0.0 113.972 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -114.6 152.32 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 C-N-CA 123.376 0.67 . . . . 0.0 109.92 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -151.51 101.37 2.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.69 -140.78 26.53 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.77 2.5 37.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.043 0.537 . . . . 0.0 111.509 168.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.43 146.85 25.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.075 0.95 . . . . 0.0 110.392 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 t -131.25 124.72 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm-85 -88.39 114.26 24.84 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.8 132.62 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.675 1.19 . . . . 0.0 109.326 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.29 134.52 11.89 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.986 0.803 . . . . 0.0 111.539 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.27 117.91 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.981 0.913 . . . . 0.0 108.959 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -119.03 92.77 3.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.998 0.519 . . . . 0.0 110.388 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.46 157.74 76.57 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 110.247 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.38 152.03 79.26 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.59 2.193 . . . . 0.0 111.125 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.95 -0.94 2.6 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 112.672 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.89 -22.27 66.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.218 1.007 . . . . 0.0 111.283 169.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.74 146.22 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.25 1.02 . . . . 0.0 110.417 174.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.93 156.57 23.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.441 0.296 . . . . 0.0 111.073 173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.15 132.74 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.958 0.503 . . . . 0.0 109.834 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -154.8 167.56 29.84 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.724 0.81 . . . . 0.0 110.914 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 28.6 ptt-85 -88.66 157.48 18.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 166.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -57.8 -35.82 71.34 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -168.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.82 -19.1 63.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.098 0.959 . . . . 0.0 113.561 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.1 mm -96.12 -36.55 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.71 0.804 . . . . 0.0 110.72 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -52.32 -35.91 51.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.489 1.116 . . . . 0.0 112.707 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.76 -27.71 66.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.65 0.78 . . . . 0.0 112.57 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -68.7 -37.03 79.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 111.805 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.433 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -69.79 -19.69 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 O-C-N 122.008 -0.433 . . . . 0.0 109.916 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -94.48 2.04 55.73 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.986 0.914 . . . . 0.0 112.494 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.17 49.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.858 0.863 . . . . 0.0 112.998 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.75 105.14 2.39 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.179 0.895 . . . . 0.0 111.3 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.97 140.34 47.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.1 0.96 . . . . 0.0 110.79 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 47.3 p -123.31 -3.4 8.44 Favored 'General case' 0 C--O 1.231 0.079 0 C-N-CA 124.291 1.037 . . . . 0.0 112.4 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.42 138.45 15.5 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 123.655 0.782 . . . . 0.0 110.389 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -57.62 -36.93 98.41 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.625 2.883 . . . . 0.0 113.923 172.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 123.692 0.797 . . . . 0.0 110.513 -169.21 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.599 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.3 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.999 0.428 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.65 108.79 14.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.269 1.828 . . . . 0.0 107.347 169.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.599 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -91.92 138.85 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.414 1.086 . . . . 0.0 109.554 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.94 134.99 22.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.093 1.357 . . . . 0.0 109.249 -167.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 134.55 34.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.174 -0.329 . . . . 0.0 110.973 169.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -136.35 133.66 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.377 0.671 . . . . 0.0 110.378 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -79.98 157.06 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.053 0.541 . . . . 0.0 110.763 171.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -61.18 140.08 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 121.282 0.563 . . . . 0.0 111.811 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.83 -4.32 85.28 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.448 1.023 . . . . 0.0 113.96 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -91.54 174.53 7.32 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.03 1.415 . . . . 0.0 112.201 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -129.69 158.49 39.22 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -168.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 25.9 mt -140.3 159.25 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 127.805 2.442 . . . . 0.0 108.886 -175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -138.51 148.42 44.26 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 112.112 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -134.24 136.36 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.788 1.235 . . . . 0.0 109.07 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -137.17 50.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -124.04 8.35 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.945 0.898 . . . . 0.0 111.744 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -130.1 -11.78 4.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.87 136.23 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.825 0.738 . . . . 0.0 110.656 -172.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -121.38 145.17 48.17 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.269 1.027 . . . . 0.0 109.747 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -125.46 144.52 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 125.677 1.591 . . . . 0.0 107.779 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -137.71 133.38 34.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.921 -0.487 . . . . 0.0 109.952 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -88.99 93.7 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.6 -28.32 64.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.036 -0.415 . . . . 0.0 110.903 -172.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.2 -176.22 38.61 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.726 -0.273 . . . . 0.0 113.313 169.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.97 158.31 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.011 0.525 . . . . 0.0 110.839 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.06 77.55 1.53 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.735 0.814 . . . . 0.0 109.449 171.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.44 -115.22 3.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.424 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -96.96 -5.21 38.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.52 0.728 . . . . 0.0 110.44 171.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.24 159.66 29.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.648 0.737 . . . . 0.0 111.874 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.02 124.41 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.161 1.384 . . . . 0.0 108.299 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -82.79 118.79 23.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -120.46 115.18 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.036 0.934 . . . . 0.0 109.178 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.17 141.32 19.85 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.517 1.056 . . . . 0.0 110.603 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.2 mt -134.6 135.24 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.07 89.88 2.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.0 61.81 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.513 1.125 . . . . 0.0 109.455 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.61 149.7 88.68 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.947 1.765 . . . . 0.0 110.486 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -68.51 -1.01 5.73 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.737 -0.602 . . . . 0.0 112.539 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.26 -23.24 66.37 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.895 1.278 . . . . 0.0 111.574 168.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.37 160.04 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.115 0.966 . . . . 0.0 110.777 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.73 157.1 16.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.271 0.629 . . . . 0.0 112.361 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.78 125.3 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 167.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -147.73 165.19 31.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.343 0.657 . . . . 0.0 111.356 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -63.44 154.52 31.92 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.341 0.656 . . . . 0.0 109.433 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.98 -36.21 78.85 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 119.025 0.83 . . . . 0.0 111.02 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.9 -25.4 68.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.716 0.806 . . . . 0.0 112.746 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mm -95.5 -39.33 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.555 1.142 . . . . 0.0 111.212 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -46.79 -38.28 9.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.307 1.443 . . . . 0.0 111.728 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.19 -26.12 68.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.732 1.213 . . . . 0.0 113.665 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.26 -47.36 50.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.054 0.843 . . . . 0.0 109.846 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.532 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.1 mp -62.7 -34.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.705 0.402 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.446 HE22 HG22 ' D' ' 51' ' ' ILE . 1.9 mm-40 -82.99 1.74 38.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.04 0.536 . . . . 0.0 111.72 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.22 -5.85 59.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.397 1.079 . . . . 0.0 112.412 169.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.41 46.73 0.52 Allowed Glycine 0 C--N 1.339 0.723 0 CA-C-N 118.519 0.599 . . . . 0.0 114.266 169.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -163.43 -178.31 5.81 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 117.999 0.899 . . . . 0.0 111.998 -169.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -152.61 104.14 2.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.521 1.128 . . . . 0.0 108.631 166.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.31 89.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 126.766 2.026 . . . . 0.0 114.586 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.44 179.83 0.82 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.035 3.156 . . . . 0.0 113.253 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.886 0.875 . . . . 0.0 112.334 176.445 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.91 104.53 9.91 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 121.497 1.953 . . . . 0.0 110.68 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.09 139.66 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.899 1.28 . . . . 0.0 110.158 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 mt -135.13 164.95 26.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.872 1.669 . . . . 0.0 110.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.48 107.17 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 166.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 129.81 56.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.899 1.68 . . . . 0.0 110.05 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.24 165.98 12.33 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.855 1.207 . . . . 0.0 112.743 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 m -59.49 137.1 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.646 -169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.45 83.5 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.064 0.84 . . . . 0.0 114.208 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -97.3 172.14 7.98 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.63 1.215 . . . . 0.0 111.376 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -135.55 158.92 43.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -169.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -137.5 156.96 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.989 2.115 . . . . 0.0 107.843 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -132.01 152.98 50.82 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.272 -0.893 . . . . 0.0 113.047 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.18 136.99 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.374 1.469 . . . . 0.0 109.323 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.49 -137.31 50.28 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -119.15 -4.26 10.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.742 0.817 . . . . 0.0 112.101 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -128.83 -3.24 5.24 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.24 131.25 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.878 0.763 . . . . 0.0 110.685 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.7 m -123.3 141.88 51.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.205 1.002 . . . . 0.0 109.387 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -118.69 138.63 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.849 1.259 . . . . 0.0 108.213 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -132.57 129.64 39.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.224 0.61 . . . . 0.0 109.898 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -85.13 103.58 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.53 -29.85 61.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.082 -0.387 . . . . 0.0 111.119 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.15 34.81 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 122.967 0.318 . . . . 0.0 113.705 170.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.47 154.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.714 0.806 . . . . 0.0 112.159 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -144.05 89.91 2.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 125.185 1.394 . . . . 0.0 108.697 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.03 -112.91 5.3 Favored Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.809 -0.557 . . . . 0.0 111.778 -175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -89.24 -22.38 22.76 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.559 0.68 . . . . 0.0 111.624 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.11 142.85 43.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.215 0.606 . . . . 0.0 110.016 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.4 116.71 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -85.94 123.92 31.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.45 132.6 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.674 0.79 . . . . 0.0 110.06 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.0 139.12 14.24 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.324 0.964 . . . . 0.0 111.374 172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -128.76 108.89 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.104 1.361 . . . . 0.0 108.285 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -106.6 98.97 8.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.83 58.61 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.972 0.909 . . . . 0.0 109.389 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.68 150.99 58.14 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 121.902 1.735 . . . . 0.0 111.3 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -60.92 -8.06 2.87 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.443 1.097 . . . . 0.0 112.795 172.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.85 -28.03 69.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.73 2.012 . . . . 0.0 111.909 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.73 155.13 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.26 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.5 151.06 22.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 122.183 -0.323 . . . . 0.0 111.848 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.06 128.22 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.143 0.577 . . . . 0.0 110.338 169.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -150.44 172.77 14.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.976 0.91 . . . . 0.0 110.754 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -69.46 161.4 29.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.94 -29.4 70.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 122.164 -0.335 . . . . 0.0 111.64 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.45 -54.58 45.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.812 . . . . 0.0 110.99 170.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 mm -74.06 -34.16 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.451 0.7 . . . . 0.0 110.084 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -51.85 -36.63 48.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.914 1.286 . . . . 0.0 112.82 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -59.9 -21.93 61.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.891 0.876 . . . . 0.0 112.553 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.11 -48.6 42.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.585 0.63 . . . . 0.0 109.498 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.493 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -65.56 -24.33 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.984 0.914 . . . . 0.0 110.805 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.39 -55.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 170.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.19 -6.7 15.47 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -166.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.78 60.81 0.33 Allowed Glycine 0 CA--C 1.522 0.501 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -171.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.657 ' H ' HD22 ' E' ' 55' ' ' LEU . 0.4 OUTLIER -50.9 146.44 6.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.083 1.753 . . . . 0.0 114.074 -164.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 42.4 p -92.02 -6.77 50.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.786 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.67 135.82 27.97 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.258 1.023 . . . . 0.0 110.038 170.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -63.55 177.34 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.205 2.604 . . . . 0.0 113.77 172.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 124.437 1.095 . . . . 0.0 112.592 178.551 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.0 145.87 29.52 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.773 0.429 . . . . 0.0 111.062 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.05 135.59 63.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.92 165.0 24.88 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.852 1.261 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 100.66 6.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 168.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.02 130.57 53.2 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.465 1.506 . . . . 0.0 110.384 -174.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.65 165.01 12.73 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.613 1.097 . . . . 0.0 112.8 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -58.81 136.96 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.578 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 -5.74 82.06 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.26 0.933 . . . . 0.0 114.065 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -95.07 169.57 10.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.623 1.212 . . . . 0.0 111.395 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 55.8 m -135.47 159.93 40.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -139.95 158.87 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.849 2.059 . . . . 0.0 107.954 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -136.87 151.37 49.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.469 -0.769 . . . . 0.0 112.596 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.04 140.89 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.725 1.21 . . . . 0.0 109.241 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.11 -133.36 48.94 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.37 10.12 7.32 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.18 0.992 . . . . 0.0 111.837 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.32 -16.29 1.22 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -171.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -104.43 136.5 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.04 0.836 . . . . 0.0 110.553 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -127.6 142.94 51.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.349 1.06 . . . . 0.0 110.31 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.69 140.45 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.492 1.517 . . . . 0.0 108.264 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -134.73 130.11 35.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.986 0.515 . . . . 0.0 109.815 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -82.26 110.25 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.19 -27.71 29.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.26 -175.01 33.35 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 123.401 0.524 . . . . 0.0 113.4 169.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.04 152.37 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.557 0.743 . . . . 0.0 111.897 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -141.86 89.98 2.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.163 1.385 . . . . 0.0 108.634 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.36 -110.86 3.75 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.06 -22.83 20.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.565 0.682 . . . . 0.0 111.822 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -73.84 141.9 46.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.053 0.541 . . . . 0.0 109.864 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.67 116.51 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -86.02 125.45 33.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.73 138.75 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.025 0.93 . . . . 0.0 109.793 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.38 143.33 16.86 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 mt -130.82 132.83 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.654 1.181 . . . . 0.0 109.438 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -127.62 112.08 14.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.01 0.924 . . . . 0.0 109.048 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.72 157.89 75.27 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.635 0.774 . . . . 0.0 111.325 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.26 160.7 40.99 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.935 2.423 . . . . 0.0 112.171 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -64.4 -12.24 41.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.61 -15.29 61.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.807 1.243 . . . . 0.0 112.473 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.11 163.49 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.839 0.856 . . . . 0.0 111.062 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.02 161.41 14.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.155 0.582 . . . . 0.0 111.409 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.02 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.296 0.638 . . . . 0.0 110.192 170.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -154.99 169.09 24.89 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.922 0.889 . . . . 0.0 110.528 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -75.15 162.46 28.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.948 -0.47 . . . . 0.0 109.775 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -22.69 65.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -172.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.48 -43.14 97.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.82 0.848 . . . . 0.0 110.914 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -86.75 -37.17 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.18 0.592 . . . . 0.0 109.746 -175.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -51.23 -30.45 17.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.52 0.728 . . . . 0.0 112.609 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.22 -21.84 49.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.927 1.291 . . . . 0.0 113.053 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -82.19 -49.24 10.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.174 0.99 . . . . 0.0 111.426 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.484 ' O ' HD12 ' F' ' 55' ' ' LEU . 1.3 mp -49.49 -46.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 128.435 2.694 . . . . 0.0 115.757 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . 0.546 ' H ' HE21 ' F' ' 52' ' ' GLN . 0.1 OUTLIER -85.48 -34.47 21.6 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 174.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.12 -34.57 14.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -165.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.71 -14.89 0.06 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 115.212 0.845 . . . . 0.0 115.212 -167.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.549 HD13 ' N ' ' F' ' 55' ' ' LEU . 0.1 OUTLIER 67.36 170.15 0.26 Allowed 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.654 1.982 . . . . 0.0 113.167 169.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 42.9 p -115.89 148.26 40.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.842 0.857 . . . . 0.0 110.929 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.83 70.77 1.71 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.199 1.4 . . . . 0.0 113.073 -171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.98 -43.97 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.954 3.103 . . . . 0.0 113.952 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.795 0.838 . . . . 0.0 110.266 -168.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C5'-C4'-C3' 110.91 -3.06 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.5 -3.2 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 O4'-C1'-N19 112.539 4.339 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-O4' 114.148 3.534 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.441 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C3'-C2'-C1' 104.87 3.745 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.441 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.154 1 C5'-C4'-C3' 108.484 -4.677 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 110.249 -3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C5'-C4'-C3' 110.56 -3.293 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O5'-C5'-C4' 113.544 2.389 . 0.016 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 1 C3'-C2'-C1' 105.133 4.036 . 0.187 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.955 3.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-C3' 111.807 -2.462 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 C5'-C4'-C3' 110.396 -3.403 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 99.78 -2.92 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.606 3.406 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 110.723 2.523 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 O4'-C1'-N19 113.292 5.092 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.283 3.083 . 0.55 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 2 O4'-C1'-N19 112.664 4.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.257 4.057 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.341 4.141 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C5'-C4'-O4' 112.971 2.694 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.757 4.557 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 111.93 3.73 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.787 -3.809 . 0.46 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 111.189 2.989 . 0.284 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C5'-C4'-C3' 111.682 -2.545 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.613 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.375 0 C5'-C4'-C3' 112.448 -2.035 . 0.062 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C5'-C4'-C3' 111.469 -2.688 OUTLIER-DELTA 0.017 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.502 3.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.564 -3.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 O4'-C1'-N19 111.13 2.93 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 1 O4'-C1'-N19 112.381 4.181 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 99.174 -3.526 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 99.474 -3.226 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 112.0 3.8 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C4'-C3'-C2' 99.33 -3.37 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.455 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C4'-C3'-C2' 100.74 -1.96 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.455 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 103.417 2.13 . 0.226 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 2 O4'-C1'-N19 114.579 6.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 C5'-C4'-C3' 109.744 -3.837 . 0.065 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 1 O4'-C1'-N19 112.334 4.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.499 3.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 O4'-C1'-N19 112.264 4.064 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.54 4.34 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 C4'-C3'-C2' 99.797 -2.903 . 0.394 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 1 O4'-C1'-N19 112.266 4.066 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 C3'-C2'-C1' 105.03 3.922 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C3'-C2'-C1' 104.546 3.384 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.218 3.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 111.197 -2.868 . 0.406 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 1 O5'-C5'-C4' 116.758 4.684 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 O4'-C1'-N19 110.266 2.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 1 O4'-C1'-N19 112.376 4.176 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C4'-C3'-C2' 100.036 -2.664 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.01 2.81 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C5'-C4'-C3' 111.376 -2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.413 4.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 O4'-C1'-N19 112.271 4.071 . 0.025 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 0 O4'-C1'-N19 111.273 3.073 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.505 3.305 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.752 3.552 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.464 3.293 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 C4'-C3'-C2' 99.472 -3.228 . 0.085 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 O4'-C4'-C3' 108.766 2.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.434 0 C5'-C4'-C3' 111.547 -2.635 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 2 C5'-C4'-C3' 105.689 -6.54 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.4 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 P-O3'-C3' 125.659 4.966 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C4'-C3'-C2' 99.971 -2.729 . 0.895 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 112.179 3.979 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 111.494 3.294 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O4'-C1'-N19 112.717 4.517 . 0.183 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 112.2 24.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.285 0.948 . . . . 0.0 110.047 -173.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.16 137.46 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.261 1.024 . . . . 0.0 109.104 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -132.83 151.78 51.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.885 0.874 . . . . 0.0 109.682 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -111.84 100.95 9.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.86 140.97 41.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.473 0.709 . . . . 0.0 110.343 -169.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -106.22 155.37 19.54 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -49.62 125.05 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.296 0.638 . . . . 0.0 110.777 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.48 -3.52 63.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.367 0.984 . . . . 0.0 114.445 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -99.27 168.52 9.97 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.7 1.25 . . . . 0.0 111.651 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -135.22 150.03 50.01 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 9.9 mm -108.41 155.99 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.641 1.576 . . . . 0.0 109.547 168.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -127.38 138.54 53.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.44 1.096 . . . . 0.0 110.202 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -133.76 131.0 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 0.0 109.579 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.92 -126.99 24.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -130.03 2.08 4.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.654 0.782 . . . . 0.0 112.365 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -135.55 -22.65 1.47 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mt -101.12 140.14 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.428 0.691 . . . . 0.0 110.33 -172.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -137.13 145.21 43.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.802 0.841 . . . . 0.0 109.154 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.85 141.65 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.49 1.116 . . . . 0.0 108.193 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -137.82 133.55 34.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.516 0.598 . . . . 0.0 110.178 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.88 101.99 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 169.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.89 -26.71 57.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.901 -0.499 . . . . 0.0 110.387 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.37 39.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 167.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.45 145.55 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.466 1.107 . . . . 0.0 111.257 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -138.29 63.88 1.52 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.948 1.299 . . . . 0.0 110.175 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.21 -122.43 6.5 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -173.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.97 -7.87 59.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.267 0.627 . . . . 0.0 112.37 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -106.63 154.33 21.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.863 0.865 . . . . 0.0 112.482 172.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.8 t -136.86 123.44 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.494 1.518 . . . . 0.0 110.168 -168.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -87.41 101.97 14.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.639 1.176 . . . . 0.0 112.108 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.28 134.63 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.275 1.43 . . . . 0.0 109.213 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.01 139.75 15.36 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.079 0.847 . . . . 0.0 111.685 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.0 mt -113.6 134.47 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.287 1.435 . . . . 0.0 108.356 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -124.56 74.99 1.37 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.175 0.99 . . . . 0.0 109.351 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.86 40.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.804 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.3 155.06 56.33 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.447 2.098 . . . . 0.0 110.499 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -68.23 -1.47 6.23 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.16 -30.97 71.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.965 0.906 . . . . 0.0 111.487 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.95 144.05 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 123.743 0.817 . . . . 0.0 111.324 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.76 143.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.928 0.891 . . . . 0.0 110.855 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.69 128.71 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 118.117 0.417 . . . . 0.0 110.648 173.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -153.54 -176.0 5.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.596 1.159 . . . . 0.0 109.933 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 169.7 12.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.41 -39.24 82.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -168.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.08 -7.14 44.44 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.11 -28.74 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.784 1.234 . . . . 0.0 110.701 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -65.94 -30.97 71.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.342 -0.849 . . . . 0.0 110.646 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -73.71 -18.94 60.94 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.729 0.811 . . . . 0.0 111.523 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -31.25 56.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.136 0.975 . . . . 0.0 111.244 170.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.5 mt -69.23 -54.76 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.669 0.788 . . . . 0.0 109.439 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -77.66 5.03 10.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.747 0.819 . . . . 0.0 111.641 -173.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.53 66.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.33 0.652 . . . . 0.0 112.249 169.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.9 15.08 1.07 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 123.774 0.702 . . . . 0.0 113.32 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -123.62 175.99 6.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.721 1.208 . . . . 0.0 111.261 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.3 p -137.6 -20.37 1.18 Allowed 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 155.35 48.12 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.383 1.073 . . . . 0.0 111.041 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.62 161.79 44.2 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.303 2.669 . . . . 0.0 111.939 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.473 1.109 . . . . 0.0 111.78 175.42 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.437 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 37.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.09 118.7 35.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.993 1.317 . . . . 0.0 107.68 169.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.6 mt -116.08 137.44 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.938 0.495 . . . . 0.0 112.072 -165.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.99 137.68 41.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.038 1.335 . . . . 0.0 110.694 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -116.35 101.02 8.3 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -128.57 153.41 47.25 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.107 0.963 . . . . 0.0 112.125 -168.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -82.34 155.44 24.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.177 0.991 . . . . 0.0 110.418 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.64 134.7 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 121.058 0.456 . . . . 0.0 110.53 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.72 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.698 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.01 156.65 21.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.094 1.447 . . . . 0.0 112.531 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -121.4 146.58 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.401 1.08 . . . . 0.0 111.497 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.9 mt -136.82 153.41 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.6 1.56 . . . . 0.0 109.106 -169.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.35 143.6 42.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 O-C-N 121.56 -0.713 . . . . 0.0 112.772 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.28 130.67 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.51 1.124 . . . . 0.0 109.834 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -137.78 49.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 -1.13 10.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.635 0.774 . . . . 0.0 112.288 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.59 -20.56 10.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.516 0.726 . . . . 0.0 112.921 -173.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.74 135.02 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -130.8 149.41 52.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.505 1.122 . . . . 0.0 109.807 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mm -128.98 147.48 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 126.262 1.825 . . . . 0.0 107.903 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -141.69 130.95 23.51 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.001 -0.437 . . . . 0.0 110.231 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.26 104.72 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.56 -29.87 52.38 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.982 -0.449 . . . . 0.0 110.668 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.35 -178.86 35.31 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 122.681 0.181 . . . . 0.0 113.15 169.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.44 152.62 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.088 0.555 . . . . 0.0 110.808 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -135.32 78.59 1.74 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.745 1.218 . . . . 0.0 108.911 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.48 -117.2 4.46 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.43 7.36 42.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.229 0.612 . . . . 0.0 111.037 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -98.94 154.21 18.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.088 0.955 . . . . 0.0 110.304 170.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -141.32 115.66 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.149 0.58 . . . . 0.0 109.485 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -82.16 117.66 22.48 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.115 0.966 . . . . 0.0 109.466 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.42 131.59 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 109.956 -172.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.62 143.29 16.43 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 123.439 0.543 . . . . 0.0 112.02 172.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.46 129.78 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.04 0.936 . . . . 0.0 109.269 173.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -132.15 74.99 1.61 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.261 -168.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.53 157.75 45.03 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.344 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -59.68 156.61 36.43 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.697 1.598 . . . . 0.0 110.179 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -0.93 18.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.72 0.771 . . . . 0.0 111.178 176.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.84 -23.1 66.6 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.837 1.655 . . . . 0.0 111.755 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.25 144.12 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.271 1.029 . . . . 0.0 109.985 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.21 142.26 29.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.601 0.715 . . . . 0.0 111.661 170.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 t -142.65 96.14 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.79 -166.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.64 159.15 43.81 Favored 'General case' 0 N--CA 1.457 -0.087 0 O-C-N 121.938 -0.476 . . . . 0.0 111.912 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.0 ptt-85 -67.78 159.94 29.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.98 0.512 . . . . 0.0 111.924 171.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -56.87 -40.28 75.89 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.274 0.63 . . . . 0.0 112.488 -171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.75 -11.88 59.35 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.16 -50.55 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.861 0.864 . . . . 0.0 110.204 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -50.51 -37.05 36.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.794 1.238 . . . . 0.0 111.977 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.11 -21.73 62.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.5 mpt_? -79.0 -41.07 29.87 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.317 0.962 . . . . 0.0 110.091 169.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' B' ' 52' ' ' GLN . 95.9 mt -63.2 -39.73 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' B' ' 51' ' ' ILE . 28.8 mm-40 -81.23 4.9 18.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.37 -19.3 46.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.178 0.591 . . . . 0.0 111.455 168.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.3 48.45 0.09 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 123.558 0.599 . . . . 0.0 113.883 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.0 -176.37 2.61 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 117.677 0.738 . . . . 0.0 112.55 -168.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -128.67 -178.35 4.56 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.232 1.413 . . . . 0.0 109.575 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.87 121.16 2.32 Favored Pre-proline 0 N--CA 1.454 -0.255 0 C-N-CA 124.102 0.961 . . . . 0.0 111.325 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -57.03 137.61 82.68 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.041 2.494 . . . . 0.0 113.204 -169.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.455 -0.213 0 C-N-CA 125.231 1.412 . . . . 0.0 113.397 172.74 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 110.57 20.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 165.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.2 134.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.128 0.971 . . . . 0.0 109.795 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.83 134.99 48.52 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.084 0.953 . . . . 0.0 109.554 169.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 62.9 p -92.98 140.74 29.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.782 0.433 . . . . 0.0 110.917 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -139.25 132.04 29.14 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.662 0.785 . . . . 0.0 110.348 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -75.94 153.55 36.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 168.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.78 135.32 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 121.257 -0.902 . . . . 0.0 111.735 -174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -4.09 81.7 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.714 1.15 . . . . 0.0 114.237 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -85.94 174.37 9.3 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.33 1.565 . . . . 0.0 112.578 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -133.86 157.58 45.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -167.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mm -141.23 153.38 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 128.046 2.538 . . . . 0.0 108.049 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -131.14 147.67 52.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.29 -0.882 . . . . 0.0 111.975 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -133.9 136.95 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.698 1.199 . . . . 0.0 108.869 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.46 -141.09 42.14 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 123.614 0.626 . . . . 0.0 111.717 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -116.87 7.08 13.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.997 0.919 . . . . 0.0 111.421 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -127.28 -12.39 5.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.085 0.954 . . . . 0.0 113.306 -169.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.85 138.68 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 118.714 0.688 . . . . 0.0 110.969 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -127.41 138.94 53.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.678 1.191 . . . . 0.0 109.347 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -122.06 142.36 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.693 1.197 . . . . 0.0 108.39 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.08 130.0 28.47 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.852 -0.53 . . . . 0.0 110.787 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -82.35 117.15 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.466 HD13 " H1'" ' G' ' 67' ' ' ' C' . 8.2 mt -90.0 -37.73 14.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.04 -0.412 . . . . 0.0 109.907 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.67 -177.88 43.54 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.537 -0.363 . . . . 0.0 113.686 169.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.88 154.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.485 0.714 . . . . 0.0 110.357 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.0 p -148.37 100.18 3.11 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.091 0.956 . . . . 0.0 109.016 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.72 -126.0 20.67 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.31 1.41 54.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.824 0.85 . . . . 0.0 112.036 173.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -87.88 155.51 19.83 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.514 0.726 . . . . 0.0 110.715 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.9 120.01 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.453 1.101 . . . . 0.0 108.546 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -81.24 113.28 19.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -118.19 130.11 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.789 1.236 . . . . 0.0 109.5 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.93 15.32 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.049 0.833 . . . . 0.0 111.915 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.2 mt -127.01 116.75 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 124.907 1.283 . . . . 0.0 108.783 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -116.06 98.06 6.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.504 0.722 . . . . 0.0 109.768 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.61 78.33 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.433 1.093 . . . . 0.0 109.911 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -62.04 152.64 74.2 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.489 2.126 . . . . 0.0 111.161 171.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.65 -1.0 2.36 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.495 0.718 . . . . 0.0 112.523 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.78 -22.77 66.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.453 1.101 . . . . 0.0 111.505 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -122.19 144.65 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.117 0.967 . . . . 0.0 110.535 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.41 154.8 21.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.704 0.402 . . . . 0.0 110.887 173.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.41 129.81 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 C-N-CA 122.947 0.499 . . . . 0.0 109.829 173.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -156.25 160.22 39.59 Favored 'General case' 0 CA--C 1.524 -0.047 0 C-N-CA 123.237 0.615 . . . . 0.0 111.631 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -74.82 160.47 30.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 166.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.8 -33.23 72.68 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.277 0.631 . . . . 0.0 112.181 -169.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.31 -42.48 77.69 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 111.761 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -93.44 -30.16 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.542 0.737 . . . . 0.0 110.907 -171.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.27 -36.07 40.43 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.732 0.813 . . . . 0.0 112.263 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -59.75 -31.83 70.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.595 0.758 . . . . 0.0 112.316 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -69.05 -37.48 78.57 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.41 0.684 . . . . 0.0 111.739 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.04 -20.27 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 O-C-N 122.057 -0.402 . . . . 0.0 110.199 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -96.36 1.73 52.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.993 0.917 . . . . 0.0 112.984 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.4 -1.25 57.79 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.66 8.24 62.41 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.51 -0.605 . . . . 0.0 112.77 -173.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 59.52 -170.14 0.14 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.638 1.575 . . . . 0.0 112.257 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -86.46 -8.93 57.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 112.47 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.92 131.69 12.53 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.256 1.022 . . . . 0.0 110.241 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.54 -41.42 57.1 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.228 2.619 . . . . 0.0 112.692 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.133 0.973 . . . . 0.0 110.701 -171.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.418 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -106.01 118.48 36.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.701 1.2 . . . . 0.0 109.342 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.418 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.4 mp -102.78 135.26 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.789 1.235 . . . . 0.0 108.906 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.6 134.96 27.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.762 1.225 . . . . 0.0 108.415 -170.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 109.94 20.92 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -170.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.85 130.54 56.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.083 -0.386 . . . . 0.0 111.255 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.78 151.94 45.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.126 0.489 . . . . 0.0 110.576 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -57.85 137.07 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.318 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.06 86.88 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.999 -0.889 . . . . 0.0 114.129 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -94.3 171.46 8.81 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.014 1.407 . . . . 0.0 111.859 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 158.41 38.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -168.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mt -139.06 157.96 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 127.143 2.177 . . . . 0.0 108.414 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -131.91 152.76 50.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.004 0.921 . . . . 0.0 111.573 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.73 134.51 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.077 1.351 . . . . 0.0 109.278 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -137.16 50.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -122.56 7.42 9.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.969 0.908 . . . . 0.0 111.861 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -133.14 -13.3 2.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -171.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.38 133.75 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 118.832 0.742 . . . . 0.0 110.638 -172.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 14.5 m -116.17 148.63 40.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.086 0.954 . . . . 0.0 109.847 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -129.64 143.51 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 125.858 1.663 . . . . 0.0 107.807 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -139.09 133.04 31.01 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 121.779 -0.576 . . . . 0.0 110.008 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -88.66 94.53 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.42 -30.59 67.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.862 -0.524 . . . . 0.0 110.963 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.76 -175.17 39.17 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.7 -0.286 . . . . 0.0 113.437 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 m -108.64 157.49 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 123.486 0.714 . . . . 0.0 111.003 170.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.6 80.16 1.65 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.376 1.07 . . . . 0.0 109.298 170.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.51 -118.06 4.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.91 -7.12 40.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.398 0.679 . . . . 0.0 110.685 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -79.69 156.63 27.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.141 0.576 . . . . 0.0 110.828 173.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -136.37 124.46 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.012 0.925 . . . . 0.0 108.821 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.45 113.05 18.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.54 121.96 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.728 0.811 . . . . 0.0 109.075 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.54 136.68 12.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.64 142.17 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 108.698 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.437 0.695 . . . . 0.0 109.225 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.24 157.85 52.29 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.648 1.179 . . . . 0.0 109.826 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.88 150.21 89.07 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.009 1.806 . . . . 0.0 110.332 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.36 -1.65 6.83 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.95 -23.52 66.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.91 1.284 . . . . 0.0 111.698 168.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.4 159.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.219 1.008 . . . . 0.0 111.135 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.41 157.05 16.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.616 0.767 . . . . 0.0 112.707 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -152.79 121.67 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 122.865 0.466 . . . . 0.0 110.224 167.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -147.77 172.2 14.48 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.821 0.849 . . . . 0.0 111.54 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -71.71 157.43 37.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.861 0.464 . . . . 0.0 110.203 168.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.89 -35.43 76.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.281 0.632 . . . . 0.0 111.548 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.92 -28.3 68.18 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.407 0.683 . . . . 0.0 112.66 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.43 -37.05 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.698 1.199 . . . . 0.0 110.621 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.51 -41.66 66.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 110.829 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -65.16 -26.24 68.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.54 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 5.0 ttt180 -74.62 -38.74 62.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 123.637 0.775 . . . . 0.0 110.974 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 75.5 mt -74.0 -37.28 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.128 0.489 . . . . 0.0 109.773 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -78.27 2.0 19.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.002 0.921 . . . . 0.0 111.267 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -77.98 -16.99 57.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.783 0.833 . . . . 0.0 111.974 169.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.36 40.25 0.21 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-O 119.211 -0.772 . . . . 0.0 114.413 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.8 pp -156.71 174.04 16.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.582 1.191 . . . . 0.0 112.502 -169.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -138.42 61.6 1.58 Allowed 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.549 1.14 . . . . 0.0 110.441 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 58.92 101.07 0.04 OUTLIER Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 126.461 1.904 . . . . 0.0 113.376 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -64.55 175.26 3.62 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.13 2.553 . . . . 0.0 113.462 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 124.314 1.046 . . . . 0.0 112.668 176.334 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.21 119.29 24.92 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.978 1.311 . . . . 0.0 108.23 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.23 137.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.969 0.908 . . . . 0.0 109.581 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -138.53 164.58 29.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.236 1.414 . . . . 0.0 111.136 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -133.23 107.02 7.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.7 mmp_? -119.07 139.57 51.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.086 1.354 . . . . 0.0 110.507 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -96.98 169.57 9.74 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 m -60.21 138.22 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.224 -170.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.48 84.57 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 124.071 0.844 . . . . 0.0 114.335 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -94.75 169.33 10.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.585 1.193 . . . . 0.0 111.461 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -133.14 156.73 46.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -169.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' E' ' 6' ' ' ARG . 46.3 mt -140.38 153.23 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 126.321 1.848 . . . . 0.0 107.905 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.76 150.77 51.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.587 -0.696 . . . . 0.0 112.608 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.72 136.97 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.986 1.315 . . . . 0.0 109.597 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.76 49.31 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -124.36 8.93 8.46 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.802 0.841 . . . . 0.0 111.961 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -136.76 -6.73 1.91 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -170.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.57 132.64 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-N 118.912 0.778 . . . . 0.0 110.639 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.0 m -127.75 142.59 51.27 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.108 0.963 . . . . 0.0 110.157 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -122.07 141.17 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.483 1.513 . . . . 0.0 108.24 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 45.7 m -137.3 128.5 27.86 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.019 0.528 . . . . 0.0 110.023 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -78.59 109.95 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 169.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.9 -31.17 56.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.624 0.37 . . . . 0.0 110.746 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -173.26 34.68 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.24 0.448 . . . . 0.0 113.359 169.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.46 159.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 123.41 0.684 . . . . 0.0 112.413 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.98 91.26 1.76 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.962 1.305 . . . . 0.0 109.066 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.21 -116.45 6.25 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 121.705 -0.622 . . . . 0.0 111.789 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -88.87 -18.97 26.48 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.593 0.697 . . . . 0.0 111.295 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -78.29 146.59 34.72 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.983 0.897 . . . . 0.0 110.73 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -140.99 113.21 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -87.16 123.32 32.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -129.86 134.17 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.43 0.692 . . . . 0.0 110.614 -168.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.58 140.96 15.17 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.275 0.94 . . . . 0.0 111.578 171.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.34 124.31 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.822 1.249 . . . . 0.0 109.033 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -122.98 100.14 6.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.325 0.65 . . . . 0.0 109.654 -172.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.58 71.9 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.206 1.002 . . . . 0.0 110.814 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.65 159.24 41.99 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.161 2.574 . . . . 0.0 112.159 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -72.95 -0.9 14.97 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 171.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.15 -21.85 66.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.307 1.043 . . . . 0.0 111.44 168.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.82 159.42 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.265 1.026 . . . . 0.0 110.69 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.38 157.22 16.0 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.099 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.06 125.91 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.376 0.67 . . . . 0.0 109.702 169.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -147.58 165.99 28.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.872 0.869 . . . . 0.0 110.066 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -66.42 156.68 33.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.25 -19.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.988 -0.445 . . . . 0.0 111.403 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.81 -46.92 88.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.374 1.069 . . . . 0.0 111.477 168.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.7 mm -83.76 -34.79 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.308 1.043 . . . . 0.0 110.412 -170.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -49.55 -34.76 18.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.946 1.299 . . . . 0.0 113.098 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -59.78 -21.97 61.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.085 0.954 . . . . 0.0 112.381 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -73.32 -50.2 23.4 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.325 0.65 . . . . 0.0 109.498 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.519 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.3 mp -62.92 -23.14 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 125.344 1.458 . . . . 0.0 110.738 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -85.28 -43.43 13.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 169.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.01 -30.38 10.31 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -166.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.78 -20.64 1.33 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.912 0.768 . . . . 0.0 112.987 -169.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.47 179.68 0.14 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.977 2.511 . . . . 0.0 113.005 169.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 35.5 p -89.49 -6.56 56.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.76 132.11 18.37 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 110.043 173.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -65.86 179.15 1.92 Allowed 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.98 2.453 . . . . 0.0 114.022 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.517 1.127 . . . . 0.0 112.454 179.613 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.796 -0.076 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.9 147.21 23.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.113 -0.367 . . . . 0.0 111.521 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 135.4 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 124.049 0.94 . . . . 0.0 108.495 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -134.62 163.36 29.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.167 0.987 . . . . 0.0 109.259 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -131.59 96.94 4.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 109.453 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' F' ' 12' ' ' ILE . 9.1 ttp180 -104.99 162.13 13.62 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.995 1.318 . . . . 0.0 110.603 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -119.46 168.43 10.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 m -54.98 134.91 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.568 -170.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 -9.35 72.21 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.292 0.949 . . . . 0.0 114.643 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.17 175.63 6.87 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.25 1.525 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -141.07 163.98 31.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HD3' ' F' ' 6' ' ' ARG . 20.5 mt -149.88 153.72 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.82 2.448 . . . . 0.0 107.748 -171.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -127.61 152.43 47.66 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.901 0.88 . . . . 0.0 112.462 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -135.04 141.79 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.512 1.125 . . . . 0.0 109.083 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.34 -136.44 49.47 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -122.27 9.96 9.87 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 112.017 172.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.74 -14.38 1.23 Allowed 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -171.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.95 139.95 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 119.152 0.887 . . . . 0.0 110.827 -172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.4 143.78 51.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.349 1.06 . . . . 0.0 110.229 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -126.64 137.0 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.585 1.554 . . . . 0.0 108.658 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 45.9 m -136.62 129.71 31.17 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.624 0.77 . . . . 0.0 110.411 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.03 109.71 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 173.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' F' ' 31' ' ' ARG . 28.7 mt -82.53 -31.97 28.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.021 0.529 . . . . 0.0 110.881 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -174.95 35.88 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.617 0.627 . . . . 0.0 113.083 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.89 153.3 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.426 0.69 . . . . 0.0 112.077 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.11 89.92 2.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.273 1.429 . . . . 0.0 109.031 169.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.42 -106.05 1.69 Allowed Glycine 0 CA--C 1.525 0.697 0 O-C-N 121.814 -0.554 . . . . 0.0 111.962 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.99 -21.94 17.7 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.547 0.673 . . . . 0.0 111.93 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.61 143.22 48.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.22 0.533 . . . . 0.0 110.001 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.53 116.46 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' F' ' 23' ' ' LEU . 22.3 ttm180 -87.02 127.73 35.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.2 141.17 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.492 -168.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.01 139.94 15.12 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 124.088 0.851 . . . . 0.0 111.148 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.11 143.13 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.756 1.223 . . . . 0.0 109.202 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -131.41 109.76 10.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.156 0.982 . . . . 0.0 108.978 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.07 157.13 78.37 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.829 0.852 . . . . 0.0 111.484 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.99 162.35 32.92 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.053 2.502 . . . . 0.0 112.192 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.78 -4.86 30.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.453 0.701 . . . . 0.0 112.674 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.79 -20.21 64.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.572 1.149 . . . . 0.0 112.432 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -128.39 164.64 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.896 0.879 . . . . 0.0 110.949 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.24 161.68 13.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.44 0.696 . . . . 0.0 111.209 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.79 124.05 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.384 0.673 . . . . 0.0 110.411 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -152.65 174.86 13.45 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 110.596 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -72.02 161.88 30.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.01 -28.45 69.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.005 -0.435 . . . . 0.0 112.094 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -42.66 81.27 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.461 1.104 . . . . 0.0 111.944 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.95 -31.54 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 110.639 -172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -48.99 -35.44 15.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 112.855 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.58 -21.97 54.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.544 1.138 . . . . 0.0 112.645 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -77.36 -47.46 19.85 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.621 0.769 . . . . 0.0 109.69 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.518 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.4 mp -64.06 -23.0 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.039 1.336 . . . . 0.0 110.487 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -85.25 -41.26 15.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.94 -31.95 9.0 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -166.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.71 -21.71 1.37 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.948 0.785 . . . . 0.0 112.949 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.48 176.56 0.16 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.138 2.575 . . . . 0.0 113.196 169.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 36.6 p -90.42 -12.59 37.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.871 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.36 129.4 13.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.014 0.925 . . . . 0.0 109.923 171.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -58.05 159.17 19.1 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.672 2.915 . . . . 0.0 114.155 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 125.536 1.535 . . . . 0.0 113.916 168.698 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.253 3.053 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 99.398 -3.302 . 0.324 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 O4'-C1'-N19 112.289 4.089 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 1 O4'-C1'-N19 112.96 4.76 OUTLIER-EPSILON 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 1 P-O3'-C3' 126.061 5.301 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-O4' 114.675 3.91 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.482 ' C5 ' ' HD3' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 112.081 3.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C3'-C2'-C1' 104.141 2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 O5'-C5'-C4' 113.163 2.116 . 0.025 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C5'-C4'-C3' 109.588 -3.942 . 0.116 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.147 2.947 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.433 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C5'-C4'-C3' 112.075 -2.283 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-C3' 111.206 -2.863 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.242 -2.458 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 111.744 3.544 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 110.909 2.709 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.989 3.789 . 0.515 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 N19-C1'-C2' 108.96 -2.775 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 2 O4'-C1'-N19 114.586 6.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.804 4.604 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.481 4.281 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-O4' 113.124 2.803 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.511 4.311 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 112.123 3.923 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 N19-C1'-C2' 109.023 -2.736 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 O4'-C1'-N19 111.438 3.238 . 0.606 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C5'-C4'-C3' 111.552 -2.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.408 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C5'-C4'-C3' 111.509 -2.661 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.408 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.248 0 C5'-C4'-C3' 111.634 -2.577 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O5'-C5'-C4' 106.353 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . 0.4 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C4'-C3'-C2' 99.416 -3.284 . 0.05 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O4'-C1'-N19 111.183 2.983 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.351 4.151 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.199 -3.501 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 99.801 -2.899 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 111.907 3.707 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C4'-C3'-C2' 100.221 -2.479 . 0.312 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 C5'-C4'-C3' 109.422 -4.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 C4'-C3'-C2' 100.646 -2.054 . 0.329 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 O4'-C1'-N19 113.457 5.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.469 1 C5'-C4'-C3' 108.755 -4.497 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 112.183 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.699 4.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 O4'-C1'-N19 113.371 5.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 1 O4'-C1'-N19 112.559 4.359 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 110.899 2.699 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.536 3.336 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 1 C3'-C2'-C1' 105.661 4.624 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C4'-C3'-C2' 99.989 -2.711 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.865 3.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.464 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.5 3 O5'-C5'-C4' 116.762 4.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.464 H5'' " C2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.414 3 O5'-C5'-C4' 117.685 5.346 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . 0.402 H5'' " H2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 P-O3'-C3' 126.763 5.886 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 1 O4'-C1'-N19 112.339 4.139 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C4'-C3'-C2' 100.06 -2.64 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 111.076 2.876 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 112.158 -2.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.932 -2.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 112.112 3.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 O4'-C1'-N19 111.371 3.171 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.553 3.353 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C3'-C2'-C1' 104.79 3.655 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C5'-C4'-O4' 114.167 3.548 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 P-O3'-C3' 122.461 2.301 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 C3'-C2'-C1' 104.02 2.8 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.392 0 C5'-C4'-C3' 110.237 -3.509 . 0.159 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.466 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.307 2 C3'-C2'-C1' 97.345 -4.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 110.019 -3.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C5'-C4'-C3' 111.598 -2.601 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 O4'-C1'-N19 112.183 3.983 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.216 3.016 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 1 O4'-C1'-N19 113.003 4.803 . 0.276 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.8 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 105.77 17.97 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.505 0.722 . . . . 0.0 109.079 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.29 135.52 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.655 0.782 . . . . 0.0 109.041 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.8 mt -128.88 162.02 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.191 0.996 . . . . 0.0 109.611 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.7 m -124.28 105.76 9.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -95.83 165.91 12.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.385 1.074 . . . . 0.0 108.801 -169.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -134.28 151.2 51.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 24' ' ' GLY . 72.2 t -48.31 121.35 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.94 -175.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.88 -7.65 55.37 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.234 1.397 . . . . 0.0 114.663 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -80.22 149.83 30.3 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.932 1.366 . . . . 0.0 112.282 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 m -124.97 142.7 51.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.574 0.75 . . . . 0.0 112.588 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 44' ' ' ARG . 36.3 mm -122.74 155.47 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.496 1.919 . . . . 0.0 108.514 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -130.16 135.23 47.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.602 1.161 . . . . 0.0 109.422 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.21 133.86 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.778 0.831 . . . . 0.0 109.325 -173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -127.57 33.09 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.01 0.09 5.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.746 0.819 . . . . 0.0 112.53 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -134.18 -14.13 2.35 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.6 mt -108.38 138.9 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.589 0.755 . . . . 0.0 110.463 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -135.56 143.62 45.77 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.164 0.986 . . . . 0.0 109.601 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -127.48 138.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.544 1.138 . . . . 0.0 108.797 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -133.62 137.22 45.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.643 0.777 . . . . 0.0 110.374 -176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -91.11 103.47 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.76 -27.23 50.28 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.876 -0.515 . . . . 0.0 110.495 -173.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.86 -168.61 40.82 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 117.667 0.212 . . . . 0.0 113.61 169.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.83 145.18 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.955 0.902 . . . . 0.0 110.58 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -136.98 65.93 1.49 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.1 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -117.95 6.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -86.95 -5.05 59.21 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.286 0.635 . . . . 0.0 112.546 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -108.22 153.52 23.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.666 0.746 . . . . 0.0 112.732 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -125.47 131.87 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 126.247 1.819 . . . . 0.0 108.473 -172.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -104.64 102.03 11.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.451 0.7 . . . . 0.0 110.274 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -109.3 137.63 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 109.891 -174.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 140.3 16.02 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.253 0.93 . . . . 0.0 111.702 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.46 138.77 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 125.321 1.448 . . . . 0.0 108.269 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -126.95 75.53 1.58 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.618 1.167 . . . . 0.0 109.3 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.38 154.1 46.47 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.238 1.415 . . . . 0.0 110.691 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.03 154.08 57.69 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.48 2.12 . . . . 0.0 110.606 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -67.25 -6.38 18.07 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.75 -25.68 65.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.037 0.935 . . . . 0.0 112.255 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.73 144.0 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.873 0.844 . . . . 0.0 112.033 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.78 143.1 36.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.793 1.237 . . . . 0.0 111.567 -175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 t -130.21 120.36 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.263 0.625 . . . . 0.0 109.421 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -148.94 158.79 44.44 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.015 0.526 . . . . 0.0 111.932 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.15 166.11 23.99 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.296 0.638 . . . . 0.0 110.612 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -62.09 -41.27 98.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.566 -0.709 . . . . 0.0 112.472 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -76.95 2.89 13.47 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.08 -11.18 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 124.481 1.112 . . . . 0.0 111.184 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -80.07 -40.61 27.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.303 -1.498 . . . . 0.0 110.53 169.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.3 -22.39 61.2 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.824 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -75.59 -35.13 60.63 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.087 0.555 . . . . 0.0 111.614 173.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.687 HG22 HE21 ' A' ' 52' ' ' GLN . 77.0 mt -63.14 -49.8 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.552 0.741 . . . . 0.0 109.475 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.687 HE21 HG22 ' A' ' 51' ' ' ILE . 81.3 mm-40 -83.97 5.12 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -175.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -19.23 65.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 122.216 -0.303 . . . . 0.0 111.476 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.43 -7.45 4.3 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.529 1.062 . . . . 0.0 113.005 172.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.6 pp -86.75 90.63 8.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 122.866 1.317 . . . . 0.0 110.929 -172.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -165.82 -31.81 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.244 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.81 152.89 4.76 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.677 1.591 . . . . 0.0 112.089 173.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -66.69 -20.93 52.45 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.277 2.651 . . . . 0.0 112.96 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 122.642 0.377 . . . . 0.0 111.836 -170.324 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.5 120.86 41.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.377 1.471 . . . . 0.0 107.314 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.403 HD11 " H5'" ' G' ' 52' ' ' ' A' . 53.6 mt -119.06 137.31 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -164.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -142.26 150.4 40.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.529 1.132 . . . . 0.0 111.436 -169.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -101.81 134.17 45.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.0 123.83 35.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.498 1.119 . . . . 0.0 109.919 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -73.72 155.99 38.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.129 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -59.6 126.83 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -6.75 61.72 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-O 118.894 -0.948 . . . . 0.0 115.023 -173.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -88.94 169.65 11.36 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.311 1.556 . . . . 0.0 111.913 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -140.99 158.78 43.45 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -168.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mm -133.82 154.26 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.344 2.258 . . . . 0.0 108.691 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -133.22 139.5 47.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.555 1.142 . . . . 0.0 110.426 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -131.27 134.39 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.974 0.91 . . . . 0.0 109.879 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -135.58 50.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -122.14 4.93 9.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.815 0.846 . . . . 0.0 112.049 173.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -125.82 -17.45 5.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.1 138.15 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 118.84 0.745 . . . . 0.0 110.827 -169.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -136.46 149.76 48.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.808 1.243 . . . . 0.0 109.94 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -130.94 143.73 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.877 1.671 . . . . 0.0 108.456 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -141.07 126.1 18.3 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.172 0.589 . . . . 0.0 110.708 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -77.92 117.93 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.76 -32.16 21.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.166 -0.334 . . . . 0.0 110.967 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.43 173.34 31.0 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 122.518 0.104 . . . . 0.0 113.124 171.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.2 153.66 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.129 0.49 . . . . 0.0 110.903 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -137.4 76.17 1.57 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.768 1.227 . . . . 0.0 109.123 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.74 -116.97 4.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.06 9.05 40.64 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.226 0.611 . . . . 0.0 111.401 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.89 152.18 20.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.597 1.159 . . . . 0.0 109.914 169.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.71 111.94 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.434 0.694 . . . . 0.0 110.108 -168.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.0 119.67 27.45 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.508 1.123 . . . . 0.0 110.245 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.42 136.47 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 124.015 0.926 . . . . 0.0 110.619 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.15 142.78 16.19 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 123.325 0.488 . . . . 0.0 112.303 169.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.79 134.0 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.835 0.854 . . . . 0.0 109.56 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -133.08 74.92 1.59 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.53 -168.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.59 156.73 51.09 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.085 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.77 152.45 42.2 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.648 1.566 . . . . 0.0 110.319 169.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -65.67 -0.71 2.24 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.437 0.695 . . . . 0.0 111.998 171.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.94 -30.96 71.62 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 112.022 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -104.96 144.13 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.499 1.12 . . . . 0.0 110.616 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.48 141.76 30.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.469 0.652 . . . . 0.0 111.863 169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.9 97.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.825 -166.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.5 158.74 44.12 Favored 'General case' 0 C--N 1.337 0.032 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -63.08 155.81 26.73 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.156 0.983 . . . . 0.0 111.903 169.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.04 -43.77 63.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.824 0.85 . . . . 0.0 112.091 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.97 -12.08 52.4 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -98.51 -49.59 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.147 0.979 . . . . 0.0 110.292 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.36 -37.02 34.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.213 1.405 . . . . 0.0 112.181 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -69.81 -23.6 63.35 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.6 mpt_? -79.03 -38.48 36.46 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.981 0.81 . . . . 0.0 110.551 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.49 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -65.02 -41.06 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.49 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.9 mm-40 -79.55 5.13 13.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.39 -17.92 47.32 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.025 0.53 . . . . 0.0 111.863 169.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.25 44.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.361 -0.688 . . . . 0.0 114.58 169.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.0 -175.8 2.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.986 0.893 . . . . 0.0 112.865 -168.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.2 p -125.98 176.78 6.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.408 1.483 . . . . 0.0 109.174 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -37.94 119.1 0.96 Allowed Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.647 1.179 . . . . 0.0 112.008 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 46.0 Cg_exo -67.53 175.94 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.228 1.952 . . . . 0.0 113.308 -171.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 N--CA 1.453 -0.289 0 C-N-CA 123.93 0.892 . . . . 0.0 112.419 173.14 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.87 107.14 16.98 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 166.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.64 134.35 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 123.861 0.864 . . . . 0.0 109.523 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.08 135.26 47.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.475 1.11 . . . . 0.0 109.668 169.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 34.0 p -94.17 147.14 23.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.21 0.529 . . . . 0.0 110.863 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -137.37 145.08 42.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.537 0.735 . . . . 0.0 110.027 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 4.4 tptm -83.32 155.41 23.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 168.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.85 130.82 22.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 118.996 0.816 . . . . 0.0 111.519 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 -4.93 79.26 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.608 1.099 . . . . 0.0 114.095 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.65 170.58 11.69 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.127 1.464 . . . . 0.0 111.895 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -132.96 158.23 43.18 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -167.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.78 159.03 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 127.209 2.204 . . . . 0.0 108.102 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -126.32 143.46 51.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.71 0.804 . . . . 0.0 111.235 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.03 151.49 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' C' ' 17' ' ' ASP . . . 8.23 121.8 0.0 OUTLIER Glycine 0 C--N 1.34 0.805 0 C-N-CA 128.212 2.815 . . . . 0.0 110.438 -174.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -53.62 9.99 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 -155.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' C' ' 15' ' ' GLY . 36.9 m-20 -94.69 -16.04 23.43 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.795 1.638 . . . . 0.0 111.588 162.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.35 141.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 121.083 1.765 . . . . 0.0 112.795 -171.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -124.88 146.34 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.753 1.221 . . . . 0.0 109.594 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -127.43 145.97 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.333 1.453 . . . . 0.0 108.474 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 8.6 m -138.97 139.86 38.05 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.966 0.506 . . . . 0.0 110.143 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.452 HD13 ' N ' ' C' ' 23' ' ' LEU . 0.0 OUTLIER -97.18 117.67 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 168.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.452 ' N ' HD13 ' C' ' 22' ' ' ILE . 8.9 mt -87.37 -47.2 8.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.81 -0.556 . . . . 0.0 109.967 -170.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.76 175.5 46.56 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.28 -0.486 . . . . 0.0 113.392 168.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -108.0 149.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.309 0.644 . . . . 0.0 110.642 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -142.56 97.7 3.16 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.391 1.076 . . . . 0.0 108.444 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.43 -128.49 15.75 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 -169.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -93.46 1.55 56.79 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.871 0.868 . . . . 0.0 112.116 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.71 153.05 22.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.648 0.779 . . . . 0.0 110.729 175.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.77 127.15 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.081 0.952 . . . . 0.0 109.249 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -85.58 117.91 24.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 168.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.14 129.87 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.817 1.247 . . . . 0.0 109.259 -172.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.79 140.17 14.92 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.103 1.335 . . . . 0.0 111.848 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.4 mt -133.65 132.82 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -138.05 90.01 2.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.972 0.415 . . . . 0.0 110.498 -172.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.07 156.42 79.21 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.537 1.135 . . . . 0.0 110.26 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.32 151.67 83.73 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.567 2.178 . . . . 0.0 110.946 170.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.02 -0.94 2.65 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.381 0.672 . . . . 0.0 112.671 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.92 -22.0 66.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.404 1.082 . . . . 0.0 111.319 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.14 148.71 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 124.29 1.036 . . . . 0.0 110.643 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.78 157.01 21.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.794 0.438 . . . . 0.0 111.464 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.66 132.56 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 169.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -154.51 165.24 37.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.841 0.856 . . . . 0.0 111.029 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' D' ' 6' ' ' ARG . 0.7 OUTLIER -80.14 159.11 26.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 166.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.03 -27.08 68.87 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.488 0.586 . . . . 0.0 111.745 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.29 -27.94 66.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.319 0.647 . . . . 0.0 112.713 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.7 -37.06 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.629 0.772 . . . . 0.0 110.489 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -52.2 -36.42 52.0 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.25 1.02 . . . . 0.0 112.53 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.62 -28.71 67.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 112.274 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.34 -38.54 71.64 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.628 0.771 . . . . 0.0 111.983 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.475 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.9 mp -67.16 -20.96 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 110.128 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -92.28 -1.22 57.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.481 0.712 . . . . 0.0 112.483 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 -22.7 15.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.399 1.08 . . . . 0.0 112.768 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.88 138.24 4.6 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -172.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? -111.13 174.5 5.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.951 0.901 . . . . 0.0 110.777 -169.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -84.31 -3.44 58.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.82 139.89 37.0 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 123.982 0.913 . . . . 0.0 110.398 171.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -65.44 175.34 4.28 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.04 2.493 . . . . 0.0 113.063 171.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 123.909 0.884 . . . . 0.0 112.505 178.041 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.9 mmm . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.2 111.08 10.58 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.791 2.036 . . . . 0.0 106.738 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.418 HD13 " H5'" ' G' ' 68' ' ' ' G' . 4.4 mp -103.65 139.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.144 0.977 . . . . 0.0 109.839 -169.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -127.6 166.37 18.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.777 1.231 . . . . 0.0 111.709 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.59 110.01 12.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.305 1.442 . . . . 0.0 108.169 168.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' C' ' 44' ' ' ARG . 1.7 mmp_? -122.98 143.64 49.78 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.772 0.429 . . . . 0.0 110.154 172.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -77.4 160.47 28.73 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.261 0.553 . . . . 0.0 110.044 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -55.41 138.14 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.486 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.67 -2.36 86.01 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.987 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.12 165.61 12.33 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.853 1.327 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -123.48 161.28 25.17 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -168.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -150.29 160.8 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 127.19 2.196 . . . . 0.0 108.951 -167.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -142.65 152.98 43.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.172 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -133.72 142.27 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.045 1.338 . . . . 0.0 109.167 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -139.31 48.66 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 123.553 0.597 . . . . 0.0 111.721 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -120.54 8.71 10.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.914 0.886 . . . . 0.0 111.903 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.02 -10.84 2.27 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.09 137.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.774 0.715 . . . . 0.0 110.482 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -121.68 145.94 47.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.443 1.097 . . . . 0.0 109.6 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -130.91 143.23 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.305 1.442 . . . . 0.0 107.849 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -139.59 135.19 33.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.655 -0.653 . . . . 0.0 110.026 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -89.65 105.84 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 mt -79.4 -30.42 42.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.062 0.545 . . . . 0.0 110.831 -171.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.02 -172.68 40.75 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 117.431 0.105 . . . . 0.0 113.035 170.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -113.72 160.74 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.401 0.68 . . . . 0.0 110.54 169.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -145.57 76.07 1.46 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.779 0.832 . . . . 0.0 109.283 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -115.5 4.03 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -174.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.47 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 7.3 mp0 -94.83 -5.97 43.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.294 0.638 . . . . 0.0 110.378 172.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.45 152.87 37.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.574 0.702 . . . . 0.0 110.718 168.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -132.36 123.83 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.433 1.493 . . . . 0.0 107.329 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -95.04 111.59 23.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.409 1.084 . . . . 0.0 108.466 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -119.53 129.32 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.49 0.716 . . . . 0.0 109.989 -169.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.09 135.54 12.27 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.53 138.6 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.121 0.969 . . . . 0.0 108.825 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.14 90.02 2.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.267 0.627 . . . . 0.0 109.842 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.16 155.55 58.15 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.371 1.068 . . . . 0.0 110.02 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.35 151.17 81.19 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.393 2.062 . . . . 0.0 110.665 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.46 -1.01 5.65 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.95 -21.69 66.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.254 1.021 . . . . 0.0 111.309 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.7 160.01 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.375 1.07 . . . . 0.0 110.753 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.65 157.09 16.93 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.477 0.711 . . . . 0.0 112.182 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.28 128.91 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 O-C-N 121.554 -0.716 . . . . 0.0 110.211 168.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -150.07 164.6 35.14 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.718 0.807 . . . . 0.0 111.616 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.92 156.66 30.35 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.74 -37.08 77.98 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.892 -0.505 . . . . 0.0 111.663 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -65.81 -26.14 67.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.888 0.875 . . . . 0.0 112.932 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -88.09 -45.04 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.917 0.887 . . . . 0.0 110.202 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -48.68 -34.71 12.42 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.25 1.82 . . . . 0.0 112.906 -171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.69 -24.62 67.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.418 1.087 . . . . 0.0 113.315 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -48.01 19.5 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 119.173 0.897 . . . . 0.0 109.728 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.676 ' H ' HD12 ' D' ' 51' ' ' ILE . 3.1 mp -62.09 -18.83 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.092 2.157 . . . . 0.0 110.697 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.43 -13.22 18.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.98 -7.23 14.14 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.15 -5.31 0.25 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.641 0.638 . . . . 0.0 113.15 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 78.21 155.26 0.15 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 127.47 2.308 . . . . 0.0 112.969 167.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.6 t -143.84 -25.91 0.55 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.874 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.67 131.26 8.77 Favored Pre-proline 0 N--CA 1.452 -0.359 0 C-N-CA 123.586 0.754 . . . . 0.0 109.965 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -65.38 -173.21 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.333 2.689 . . . . 0.0 111.892 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 123.436 0.694 . . . . 0.0 112.86 177.048 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -86.59 121.04 28.56 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.196 0.907 . . . . 0.0 111.859 -166.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -105.97 139.99 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.966 0.906 . . . . 0.0 109.363 173.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.26 165.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.402 1.481 . . . . 0.0 111.298 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 105.16 5.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 166.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -122.39 137.65 54.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.288 -173.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -95.71 168.96 10.35 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -57.93 137.79 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.117 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -5.59 84.52 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.173 -0.793 . . . . 0.0 114.353 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -88.27 169.54 11.77 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.879 1.34 . . . . 0.0 111.739 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -134.92 155.97 49.78 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.486 0.66 . . . . 0.0 112.485 -170.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mt -140.8 157.46 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.949 1.7 . . . . 0.0 108.263 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -138.25 148.3 44.58 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mt -136.82 139.54 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.778 1.231 . . . . 0.0 109.095 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.81 -137.62 50.18 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.2 10.05 7.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.065 0.946 . . . . 0.0 112.434 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -132.33 -9.69 3.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -114.05 135.95 52.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 119.354 0.979 . . . . 0.0 111.157 -170.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -128.25 145.79 50.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.512 1.125 . . . . 0.0 110.217 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -124.86 141.52 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.623 1.569 . . . . 0.0 108.038 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.1 m -137.43 126.6 24.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.947 0.499 . . . . 0.0 110.166 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.99 112.92 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 170.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.46 -32.16 42.58 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.976 0.51 . . . . 0.0 110.698 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.11 -174.19 34.69 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.265 0.46 . . . . 0.0 113.419 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.45 157.87 26.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 117.511 0.655 . . . . 0.0 112.571 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -150.06 101.9 3.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.925 1.29 . . . . 0.0 109.101 168.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.9 -116.3 5.56 Favored Glycine 0 CA--C 1.525 0.691 0 O-C-N 121.805 -0.559 . . . . 0.0 112.083 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -90.83 -16.38 28.39 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 117.604 0.702 . . . . 0.0 111.157 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -80.7 150.52 29.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.437 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.29 110.03 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 126.419 1.888 . . . . 0.0 106.212 -168.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -89.12 124.59 34.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.09 131.85 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.165 0.586 . . . . 0.0 110.971 -168.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 142.49 16.03 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.391 0.996 . . . . 0.0 111.843 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.23 128.96 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.026 1.331 . . . . 0.0 108.977 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.11 99.5 5.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.983 0.513 . . . . 0.0 109.718 -170.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 155.67 71.14 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.46 1.104 . . . . 0.0 110.434 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.95 159.12 35.17 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.769 2.313 . . . . 0.0 111.888 170.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -69.91 -0.89 8.13 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.273 0.629 . . . . 0.0 112.645 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.96 -22.75 67.05 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.653 1.181 . . . . 0.0 111.482 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.02 157.65 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.329 1.051 . . . . 0.0 110.94 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.66 156.49 16.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.88 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.06 126.99 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.209 0.604 . . . . 0.0 110.223 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -152.97 167.73 28.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.409 0.684 . . . . 0.0 111.891 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -69.11 159.39 33.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -19.8 65.87 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -60.2 -55.49 33.15 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.422 0.689 . . . . 0.0 110.054 169.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -71.41 -36.01 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 123.272 0.629 . . . . 0.0 109.966 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.99 -35.54 46.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.315 1.046 . . . . 0.0 112.748 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -61.41 -21.98 64.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.497 0.719 . . . . 0.0 112.528 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.05 -45.47 60.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.397 0.679 . . . . 0.0 109.838 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.484 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.8 mp -64.78 -23.03 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.415 1.486 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -85.23 -40.76 16.27 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 169.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.98 -31.87 9.51 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -166.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.1 -23.63 1.13 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 123.906 0.765 . . . . 0.0 112.99 -169.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.26 166.23 0.2 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 128.129 2.572 . . . . 0.0 113.615 169.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -102.92 -3.92 25.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.757 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.0 135.97 27.49 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.205 1.002 . . . . 0.0 109.836 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -63.17 176.73 1.83 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.146 2.564 . . . . 0.0 113.563 172.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.454 -0.246 0 C-N-CA 124.421 1.088 . . . . 0.0 112.685 178.128 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -95.99 148.32 22.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.75 0.42 . . . . 0.0 111.429 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.97 127.96 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.92 149.59 39.9 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.058 1.343 . . . . 0.0 108.989 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.82 96.86 5.12 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 122.003 0.906 . . . . 0.0 108.649 168.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -109.75 162.24 14.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.825 1.65 . . . . 0.0 109.118 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -114.79 177.05 4.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.74 134.79 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.098 0.475 . . . . 0.0 111.98 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.0 75.65 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 118.815 -0.992 . . . . 0.0 115.42 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 169.21 18.43 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.732 1.766 . . . . 0.0 112.64 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -136.84 143.1 42.92 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.758 1.223 . . . . 0.0 111.979 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.7 156.54 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 126.672 1.989 . . . . 0.0 108.227 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -129.21 147.24 51.04 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.645 0.778 . . . . 0.0 111.86 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.1 143.59 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.511 1.125 . . . . 0.0 109.062 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.18 -135.06 51.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -125.05 10.08 8.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.04 0.936 . . . . 0.0 112.729 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -139.09 -15.98 1.1 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.18 138.51 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.63 1.104 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 50.9 m -132.14 141.26 49.07 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.355 1.062 . . . . 0.0 110.699 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -126.76 124.43 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.874 1.27 . . . . 0.0 109.572 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -119.35 136.43 54.27 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.355 1.062 . . . . 0.0 110.066 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -94.55 116.83 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 172.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.36 -30.69 21.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.975 0.51 . . . . 0.0 111.048 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.08 -175.07 36.07 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 123.185 0.422 . . . . 0.0 113.582 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -118.88 159.49 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 C-N-CA 123.701 0.801 . . . . 0.0 112.046 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.57 89.93 1.67 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.665 1.186 . . . . 0.0 109.174 169.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.6 -102.92 1.26 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -100.24 -19.97 16.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.514 0.657 . . . . 0.0 112.084 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -72.62 143.45 48.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.232 0.539 . . . . 0.0 110.211 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.37 113.79 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -86.81 127.94 35.02 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.55 0.74 . . . . 0.0 109.365 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.7 147.05 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.052 0.941 . . . . 0.0 110.239 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.27 141.61 15.91 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.237 0.922 . . . . 0.0 111.25 170.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -130.82 130.82 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.264 1.026 . . . . 0.0 109.825 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -125.04 106.31 9.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.302 1.041 . . . . 0.0 109.133 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.65 157.91 76.86 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.074 0.949 . . . . 0.0 111.222 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -66.2 160.62 44.07 Favored 'Trans proline' 0 N--CA 1.449 -1.097 0 C-N-CA 122.888 2.392 . . . . 0.0 112.127 175.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -6.26 12.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 171.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.43 -14.87 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.818 1.247 . . . . 0.0 112.388 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.73 165.12 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.4 162.7 12.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.386 0.674 . . . . 0.0 111.462 171.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.95 127.53 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.576 0.75 . . . . 0.0 110.105 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.18 176.2 12.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.147 0.979 . . . . 0.0 110.091 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.99 163.92 23.87 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.817 -0.552 . . . . 0.0 109.878 168.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.22 -30.23 69.26 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.837 0.455 . . . . 0.0 112.105 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.48 -44.36 80.53 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.04 0.936 . . . . 0.0 111.735 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.96 -29.61 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.689 0.796 . . . . 0.0 110.456 -170.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -50.03 -35.15 23.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.331 1.052 . . . . 0.0 112.563 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.49 -21.88 60.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.297 1.039 . . . . 0.0 112.852 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.64 -46.37 54.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.644 0.657 . . . . 0.0 109.702 174.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.491 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.6 mp -65.83 -23.0 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.202 1.001 . . . . 0.0 110.302 -177.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -85.33 -56.04 3.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.1 -4.5 16.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 -166.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.06 62.48 0.3 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -171.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.698 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.5 OUTLIER -54.17 149.01 10.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.549 1.54 . . . . 0.0 113.714 -165.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -88.77 145.49 25.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.574 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 45.23 71.49 1.52 Allowed Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 125.24 1.416 . . . . 0.0 113.006 -173.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.82 -43.56 46.08 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 124.015 3.143 . . . . 0.0 113.934 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 123.563 0.745 . . . . 0.0 110.001 -168.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.687 -3.209 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.66 3.46 . 0.334 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 O4'-C1'-N19 112.767 4.567 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C5'-C4'-O4' 114.548 3.82 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 C5'-C4'-C3' 109.432 -4.046 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 C5'-C4'-O4' 115.173 4.266 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 2 C3'-C2'-C1' 96.741 -5.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C3'-C2'-C1' 104.412 3.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 0 O5'-C5'-C4' 113.216 2.154 . 0.022 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 110.028 -3.648 . 0.189 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 111.361 3.161 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C4'-C3' 108.777 2.341 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 110.785 -3.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 100.182 -2.518 . 0.945 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.676 3.476 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 O4'-C1'-N19 110.942 2.742 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 112.863 -1.758 . 0.597 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C5'-C4'-C3' 112.259 -2.161 . 0.254 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 1 C1'-O4'-C4' 105.062 -5.043 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 O4'-C1'-N19 112.539 4.339 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 2 C4'-C3'-C2' 98.425 -4.275 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C5'-C4'-O4' 112.733 2.524 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.447 4.247 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.21 4.01 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 N19-C1'-C2' 108.7 -2.938 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O5'-C5'-C4' 114.282 2.916 . 0.542 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.666 -2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.405 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 111.704 -2.531 . 0.056 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.405 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 111.67 -2.553 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 0 O4'-C1'-N19 111.444 3.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.454 -2.246 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.301 3.101 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 1 O4'-C1'-N19 112.539 4.339 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 99.374 -3.326 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C4'-C3'-C2' 99.525 -3.175 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 111.616 3.416 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 110.991 2.791 . 0.52 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 110.861 2.661 . 0.572 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C3'-C2'-C1' 104.149 2.943 . 0.193 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 113.402 5.202 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 1 C5'-C4'-C3' 109.191 -4.206 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.986 3.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C3'-C2'-C1' 104.964 3.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 2 O4'-C1'-N19 112.825 4.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.245 4.045 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 99.645 -3.055 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 112.354 4.154 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 C3'-C2'-C1' 105.236 4.151 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.611 -3.089 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.299 3.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.343 0 C5'-C4'-C3' 111.009 -2.994 . 0.419 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.403 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.354 1 O5'-C5'-C4' 117.389 5.135 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.987 -2.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.496 4.296 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C5'-C4'-O4' 112.673 2.48 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.717 2.517 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 O4'-C1'-N19 114.297 6.097 . 0.227 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 1 O4'-C1'-N19 112.624 4.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 2 O4'-C1'-N19 112.689 4.489 . 0.01 4d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 111.573 3.373 . 0.331 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.076 2.876 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C3'-C2'-C1' 104.416 3.24 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.418 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.334 0 C5'-C4'-C3' 110.28 -3.48 . 0.54 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.418 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.615 -3.085 . 0.129 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C3'-C2'-C1' 103.827 2.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 0 C5'-C4'-O4' 112.24 2.171 . 0.143 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 C5'-C4'-C3' 106.117 -6.256 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.418 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 P-O3'-C3' 126.062 5.301 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 99.937 -2.763 . 0.952 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.439 4.239 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.383 3.183 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C4'-C3'-C2' 100.734 -1.966 . 0.634 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.02 109.43 21.34 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.584 0.753 . . . . 0.0 109.326 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.67 137.14 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.022 0.929 . . . . 0.0 109.114 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -132.44 156.19 47.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.192 0.997 . . . . 0.0 109.693 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -115.96 100.96 8.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.65 130.09 56.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.603 0.761 . . . . 0.0 110.326 -169.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -94.09 154.45 17.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 HG13 ' A' ' 25' ' ' VAL . 31.6 m -63.58 134.76 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 119.594 -0.843 . . . . 0.0 112.049 -169.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 -2.71 68.32 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.705 1.145 . . . . 0.0 114.198 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -100.21 171.01 8.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.84 1.32 . . . . 0.0 111.664 178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.0 m -136.15 151.34 49.66 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.8 mm -112.9 158.5 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 125.908 1.683 . . . . 0.0 109.781 169.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.4 140.27 52.29 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.966 1.306 . . . . 0.0 110.027 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mt -134.58 130.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.035 0.934 . . . . 0.0 109.643 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.66 -127.63 28.73 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.05 2.0 5.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.87 0.868 . . . . 0.0 112.101 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -147.55 -7.87 0.44 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -105.6 136.64 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.417 1.008 . . . . 0.0 110.431 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -129.34 143.66 50.93 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.841 0.856 . . . . 0.0 109.249 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -122.78 141.82 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.645 1.178 . . . . 0.0 108.235 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -135.56 127.74 29.98 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.269 0.486 . . . . 0.0 110.142 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -79.37 106.45 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.25 -35.42 63.81 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.67 -168.0 33.21 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 166.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HG11 ' A' ' 8' ' ' VAL . 14.4 m -88.23 163.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.813 0.845 . . . . 0.0 112.422 -169.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 m -148.47 61.02 1.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.082 1.353 . . . . 0.0 109.546 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.84 -121.87 9.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -171.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.13 -0.36 44.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.61 0.764 . . . . 0.0 111.839 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.02 163.08 12.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.88 0.848 . . . . 0.0 111.559 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.6 t -140.91 128.82 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.739 1.616 . . . . 0.0 108.139 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -107.0 101.94 11.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.77 0.828 . . . . 0.0 110.373 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -108.79 132.06 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.413 1.485 . . . . 0.0 109.542 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.98 141.71 15.35 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.044 0.831 . . . . 0.0 111.876 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.9 mt -115.57 129.95 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.332 1.453 . . . . 0.0 108.183 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -119.69 74.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.232 1.015 . . . . 0.0 109.379 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.08 153.1 41.18 Favored Pre-proline 0 N--CA 1.454 -0.264 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.612 171.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.1 156.31 47.14 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.604 2.203 . . . . 0.0 110.467 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -69.46 -2.65 11.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.86 -24.74 63.47 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.915 0.886 . . . . 0.0 111.884 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -117.55 144.08 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.901 0.858 . . . . 0.0 111.74 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.09 143.0 30.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 110.85 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.64 130.33 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 122.678 0.391 . . . . 0.0 110.336 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -151.54 -175.89 5.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.283 1.033 . . . . 0.0 110.064 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.96 163.18 25.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 170.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -63.14 -26.45 68.82 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.31 -23.68 65.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 112.627 172.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -120.19 -26.52 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.885 1.274 . . . . 0.0 111.127 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.33 -31.08 72.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.335 -0.853 . . . . 0.0 110.498 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.52 -18.46 61.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.723 0.809 . . . . 0.0 111.672 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.22 -36.68 58.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.132 0.973 . . . . 0.0 110.789 169.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.0 mt -63.87 -51.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.662 0.785 . . . . 0.0 109.251 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -84.05 5.16 26.96 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.704 -174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -21.11 65.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.68 0.392 . . . . 0.0 112.038 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.86 -6.57 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 124.217 0.913 . . . . 0.0 113.074 174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -93.07 90.89 7.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.607 1.194 . . . . 0.0 111.321 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.4 p -126.97 -33.47 2.45 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.051 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.0 153.99 48.37 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.736 1.214 . . . . 0.0 110.031 168.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -70.54 163.79 37.62 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.025 2.483 . . . . 0.0 112.008 175.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 124.789 1.236 . . . . 0.0 110.643 -176.261 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.6 tpp . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -114.44 121.92 45.03 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.416 HD11 " H5'" ' G' ' 52' ' ' ' A' . 55.6 mt -118.01 141.41 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -165.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.39 139.17 46.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.864 1.265 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -116.23 107.75 15.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -131.16 159.31 38.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.754 0.822 . . . . 0.0 110.868 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -87.51 164.85 15.91 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.064 0.459 . . . . 0.0 112.183 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.84 134.72 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.078 0.466 . . . . 0.0 110.584 172.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.67 -3.06 67.77 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.637 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.6 162.21 18.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.087 1.444 . . . . 0.0 112.632 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -127.22 143.58 51.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.268 1.027 . . . . 0.0 111.651 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 8.4 mt -136.07 154.33 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.348 1.459 . . . . 0.0 109.298 -170.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -138.0 144.84 41.28 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -169.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -135.85 127.99 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.455 1.102 . . . . 0.0 109.83 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -135.59 51.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.7 4.77 6.09 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.756 0.822 . . . . 0.0 112.788 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -110.81 -21.76 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.72 136.01 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-N 119.023 0.829 . . . . 0.0 111.644 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -133.02 150.91 52.11 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.04 1.336 . . . . 0.0 109.761 170.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -130.17 146.72 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.125 1.77 . . . . 0.0 108.058 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -140.49 130.28 24.44 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.006 -0.434 . . . . 0.0 110.042 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -83.02 108.58 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.03 -29.92 43.87 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.09 -0.381 . . . . 0.0 110.884 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.49 -179.67 32.16 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 122.791 0.234 . . . . 0.0 112.688 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.62 153.84 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 121.237 0.542 . . . . 0.0 111.082 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -136.79 72.92 1.43 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.76 1.224 . . . . 0.0 108.718 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.3 -112.87 3.66 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.49 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -110.86 16.49 21.26 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 121.401 0.62 . . . . 0.0 111.712 169.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -99.0 157.24 16.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.374 1.07 . . . . 0.0 108.952 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -137.22 122.29 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.337 0.255 . . . . 0.0 110.328 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -88.24 119.96 29.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.087 0.955 . . . . 0.0 109.762 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.27 132.51 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.294 1.038 . . . . 0.0 109.88 -169.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.54 140.01 14.81 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -121.57 132.34 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.778 0.799 . . . . 0.0 109.514 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.41 75.01 1.61 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.208 -168.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.5 156.5 49.18 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.113 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -56.96 153.12 39.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.619 1.546 . . . . 0.0 110.731 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -68.18 -0.83 5.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.162 0.585 . . . . 0.0 112.051 172.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.93 -28.62 69.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.92 1.688 . . . . 0.0 112.584 171.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -106.72 144.1 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.237 1.015 . . . . 0.0 110.769 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.17 141.59 31.82 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.592 0.711 . . . . 0.0 112.304 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.54 98.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.904 -167.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.73 162.04 40.56 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.814 -0.554 . . . . 0.0 111.507 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.21 159.33 29.28 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 170.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -56.13 -33.07 64.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.651 0.781 . . . . 0.0 112.471 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.35 -55.09 31.96 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.403 1.001 . . . . 0.0 110.235 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.91 -45.52 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 110.045 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -51.03 -40.09 57.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.198 0.999 . . . . 0.0 112.058 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.39 -25.47 65.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -78.8 -41.42 30.42 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.977 0.808 . . . . 0.0 110.241 172.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.525 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.9 mt -63.23 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.525 ' NE2' HG22 ' B' ' 51' ' ' ILE . 25.9 mm-40 -80.26 4.72 16.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.98 -17.0 51.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.122 0.569 . . . . 0.0 111.861 169.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.62 47.64 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.836 169.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.91 -176.42 2.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.656 0.728 . . . . 0.0 112.501 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -128.64 179.54 5.63 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.094 1.358 . . . . 0.0 109.474 167.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.11 121.76 1.6 Allowed Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 124.445 1.098 . . . . 0.0 111.744 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.71 153.3 30.71 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.656 2.904 . . . . 0.0 113.907 -169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.677 1.191 . . . . 0.0 112.288 169.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 109.7 16.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.062 1.745 . . . . 0.0 106.292 164.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.49 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.739 0.816 . . . . 0.0 109.757 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.7 134.91 50.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.53 0.732 . . . . 0.0 109.473 167.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -89.51 139.13 30.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.774 0.829 . . . . 0.0 109.253 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 134.48 21.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.175 -0.328 . . . . 0.0 111.847 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.8 tptm -76.83 152.9 35.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.634 0.773 . . . . 0.0 110.193 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -58.35 138.68 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 121.768 -0.583 . . . . 0.0 111.952 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.88 82.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.59 1.09 . . . . 0.0 114.193 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.31 169.4 12.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.856 1.328 . . . . 0.0 112.983 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -125.79 155.29 41.3 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.33 1.052 . . . . 0.0 112.779 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mt -143.71 153.59 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.642 1.977 . . . . 0.0 108.81 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -124.66 148.79 47.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.104 0.962 . . . . 0.0 111.767 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -135.41 130.85 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.703 1.201 . . . . 0.0 108.969 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.53 -137.74 45.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -123.95 10.02 8.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.099 0.96 . . . . 0.0 111.864 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -119.07 -17.47 8.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.435 1.094 . . . . 0.0 113.097 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.19 139.79 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 118.784 0.72 . . . . 0.0 111.138 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -129.2 141.15 51.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.674 1.19 . . . . 0.0 109.228 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -122.05 141.58 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.798 1.239 . . . . 0.0 108.491 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -136.16 132.16 35.62 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.588 0.355 . . . . 0.0 110.104 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -87.01 117.57 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -94.56 -35.12 12.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.017 -0.427 . . . . 0.0 110.168 -172.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.07 38.76 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 169.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -110.99 154.19 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 123.616 0.766 . . . . 0.0 110.322 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -151.62 107.95 3.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.308 1.043 . . . . 0.0 108.796 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.04 -130.82 30.35 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -169.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -92.6 1.29 57.34 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.898 0.879 . . . . 0.0 112.17 172.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.99 153.11 21.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.069 0.948 . . . . 0.0 110.752 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 36.5 t -134.5 124.19 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.047 0.939 . . . . 0.0 108.838 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.6 ttm180 -80.69 115.23 20.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 169.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -122.12 130.19 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.694 1.197 . . . . 0.0 109.259 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.23 136.93 12.96 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 124.003 0.811 . . . . 0.0 111.72 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -122.33 121.07 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.198 0.999 . . . . 0.0 108.901 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -120.27 95.52 4.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.977 0.511 . . . . 0.0 110.168 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.13 157.25 78.76 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 124.303 1.041 . . . . 0.0 110.115 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.59 154.32 65.78 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.698 2.265 . . . . 0.0 111.411 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.6 -1.01 3.21 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.424 0.689 . . . . 0.0 112.566 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.9 -22.39 66.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.207 1.003 . . . . 0.0 111.37 169.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.68 147.59 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.008 0.923 . . . . 0.0 110.736 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.19 156.3 23.27 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.807 0.443 . . . . 0.0 111.102 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.01 129.38 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.062 0.545 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -155.8 165.94 35.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.569 0.622 . . . . 0.0 112.071 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.62 162.03 25.54 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 166.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 123.237 0.615 . . . . 0.0 112.062 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.84 -45.31 82.44 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.852 0.861 . . . . 0.0 111.467 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -91.37 -30.09 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.834 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.589 ' HA ' HD13 ' C' ' 51' ' ' ILE . 36.5 t80 -48.77 -39.82 26.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.217 0.607 . . . . 0.0 111.594 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.31 -20.82 2.96 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.59 1.956 . . . . 0.0 114.137 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -87.19 -39.42 15.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 172.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp -49.97 -41.75 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 125.454 1.501 . . . . 0.0 112.661 -168.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.607 ' NE2' ' H ' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -104.98 2.01 29.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 126.394 1.878 . . . . 0.0 110.083 -168.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.49 -15.47 52.32 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.301 1.84 . . . . 0.0 112.915 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.18 125.37 4.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -169.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.15 161.56 14.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.471 0.709 . . . . 0.0 111.692 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.6 p -86.73 150.82 23.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.936 0.894 . . . . 0.0 111.631 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.42 72.23 1.23 Allowed Pre-proline 0 CA--C 1.531 0.236 0 C-N-CA 125.693 1.597 . . . . 0.0 113.388 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.34 174.41 6.2 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.898 2.399 . . . . 0.0 113.476 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 124.375 1.07 . . . . 0.0 112.914 -178.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.538 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.3 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -123.42 109.67 14.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.598 1.959 . . . . 0.0 106.533 166.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.538 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.58 135.26 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.452 1.101 . . . . 0.0 109.103 -176.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -121.36 166.94 13.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.481 1.112 . . . . 0.0 110.491 172.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.16 109.83 14.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 168.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.52 127.51 54.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 122.238 -0.289 . . . . 0.0 110.309 -172.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -71.88 153.59 41.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.36 135.35 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.223 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -2.45 84.97 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.283 0.944 . . . . 0.0 114.257 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.94 171.38 9.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.137 1.469 . . . . 0.0 111.974 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 64.8 m -129.9 159.67 35.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -168.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mt -143.23 159.22 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 127.259 2.223 . . . . 0.0 108.607 -171.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.39 150.48 47.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 111.918 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -134.03 139.61 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.674 1.19 . . . . 0.0 109.11 177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.36 -135.69 51.65 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -122.37 3.29 9.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.012 0.925 . . . . 0.0 111.981 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.74 -11.83 3.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -170.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.61 137.26 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.679 0.672 . . . . 0.0 110.513 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -120.03 149.74 41.67 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.553 1.141 . . . . 0.0 109.487 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.38 145.97 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.63 1.572 . . . . 0.0 107.706 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -141.96 137.03 30.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.757 -0.589 . . . . 0.0 109.833 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.87 98.92 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.42 -30.54 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.583 -0.698 . . . . 0.0 111.1 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -173.66 40.59 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.592 -0.337 . . . . 0.0 113.636 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 m -112.45 159.56 12.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.522 0.729 . . . . 0.0 111.176 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -145.24 76.67 1.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.873 0.869 . . . . 0.0 109.909 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.23 -116.21 4.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.59 -3.76 45.8 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.074 0.55 . . . . 0.0 110.601 169.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.407 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 73.9 mt-30 -76.09 158.61 31.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.456 0.646 . . . . 0.0 111.655 169.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.47 125.57 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.587 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -82.53 114.59 21.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.42 121.0 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.729 0.812 . . . . 0.0 109.075 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.13 134.54 12.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -125.44 136.47 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.11 89.97 2.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.9 158.77 46.93 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 124.645 1.178 . . . . 0.0 109.424 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.85 150.15 87.22 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.72 1.613 . . . . 0.0 110.321 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -68.77 -1.06 6.21 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.05 -23.53 66.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.128 1.371 . . . . 0.0 111.81 168.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.26 159.9 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.057 0.943 . . . . 0.0 110.987 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.12 157.08 16.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.258 0.623 . . . . 0.0 112.321 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.26 124.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 168.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -149.96 156.37 41.61 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.577 0.751 . . . . 0.0 110.969 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -68.5 157.06 36.75 Favored 'General case' 0 N--CA 1.456 -0.14 0 O-C-N 121.921 -0.487 . . . . 0.0 110.445 169.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.36 -36.16 73.05 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.958 0.903 . . . . 0.0 112.893 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.79 -18.84 64.25 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -95.64 -36.85 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.338 1.055 . . . . 0.0 111.069 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -49.44 -42.83 43.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.307 0.643 . . . . 0.0 111.761 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.68 -23.58 64.95 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.392 1.077 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 67.2 mtt180 -79.15 -42.96 24.96 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.815 0.846 . . . . 0.0 110.873 177.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp -62.76 -32.0 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 110.224 172.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.402 HE22 HG22 ' D' ' 51' ' ' ILE . 0.8 OUTLIER -84.1 1.98 41.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.449 0.7 . . . . 0.0 111.226 175.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -83.62 -3.02 57.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.226 1.41 . . . . 0.0 112.327 170.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.99 44.03 0.97 Allowed Glycine 0 CA--C 1.526 0.755 0 CA-C-N 118.459 0.572 . . . . 0.0 113.724 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.422 ' C ' HD12 ' D' ' 55' ' ' LEU . 4.1 pp -163.93 -176.0 4.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 117.809 0.805 . . . . 0.0 111.958 -168.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 58.8 m -153.6 107.31 3.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.419 1.088 . . . . 0.0 108.78 166.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 36.27 83.89 0.19 Allowed Pre-proline 0 CA--C 1.531 0.23 0 C-N-CA 126.904 2.082 . . . . 0.0 114.535 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -63.01 169.86 8.39 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.119 2.546 . . . . 0.0 114.441 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.454 -0.254 0 C-N-CA 124.746 1.218 . . . . 0.0 113.166 -174.045 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -128.97 119.46 24.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.688 1.195 . . . . 0.0 109.473 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.62 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.287 1.035 . . . . 0.0 109.995 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -134.64 164.98 26.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.831 1.652 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -133.17 99.9 4.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.73 132.93 52.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.367 1.467 . . . . 0.0 112.147 -168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -80.59 158.96 25.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.786 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -62.47 136.76 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.4 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.14 86.44 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.0 0.809 . . . . 0.0 114.097 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -96.03 169.71 9.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.713 1.256 . . . . 0.0 111.366 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -130.64 159.75 36.27 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -169.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 99.0 mt -135.92 156.15 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 127.108 2.163 . . . . 0.0 107.97 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.84 147.96 48.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.634 -0.666 . . . . 0.0 112.575 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -138.26 137.77 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.588 1.155 . . . . 0.0 109.177 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.32 50.6 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -125.67 7.41 7.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.701 0.801 . . . . 0.0 112.171 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -132.16 -5.83 3.45 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.77 134.91 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 119.112 0.869 . . . . 0.0 110.86 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -127.2 142.85 51.38 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.819 1.248 . . . . 0.0 109.375 171.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -122.68 141.23 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.015 1.326 . . . . 0.0 107.826 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 61.4 m -133.41 129.35 37.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.403 0.281 . . . . 0.0 110.271 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.51 106.69 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 171.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.36 -27.74 52.71 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.954 0.502 . . . . 0.0 110.942 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -173.97 35.02 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 123.61 0.624 . . . . 0.0 113.451 169.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -119.58 158.01 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.561 0.744 . . . . 0.0 112.275 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t -149.97 89.99 1.65 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.824 1.249 . . . . 0.0 109.094 168.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.67 -115.11 6.05 Favored Glycine 0 CA--C 1.526 0.734 0 O-C-N 121.62 -0.675 . . . . 0.0 112.043 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -86.68 -21.83 26.45 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 117.777 0.789 . . . . 0.0 111.16 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -76.43 149.43 36.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.2 1.0 . . . . 0.0 110.94 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.13 112.78 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 -169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -86.74 124.36 32.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.01 135.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 122.711 0.404 . . . . 0.0 110.84 -168.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.5 141.93 15.4 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 124.554 1.073 . . . . 0.0 111.39 171.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -128.89 121.94 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.139 1.375 . . . . 0.0 108.238 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -123.64 98.91 6.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.81 154.66 71.06 Favored Pre-proline 0 N--CA 1.451 -0.383 0 C-N-CA 124.854 1.261 . . . . 0.0 109.008 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -55.95 151.85 39.35 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 121.783 1.655 . . . . 0.0 111.511 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -65.93 -5.93 10.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.085 0.954 . . . . 0.0 111.821 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.8 -30.0 68.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.719 2.007 . . . . 0.0 113.057 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.93 155.15 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.666 0.786 . . . . 0.0 110.297 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 142.28 31.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.6 135.75 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.789 0.436 . . . . 0.0 110.298 169.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -151.89 167.38 28.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.567 0.747 . . . . 0.0 110.322 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -65.68 154.66 38.25 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -61.54 -27.15 68.41 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.782 0.433 . . . . 0.0 111.241 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.63 -41.62 86.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.949 1.3 . . . . 0.0 112.512 171.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -86.97 -34.14 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.556 1.142 . . . . 0.0 109.942 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.426 1.09 . . . . 0.0 112.347 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -67.77 -24.66 65.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.65 0.78 . . . . 0.0 112.636 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -73.21 -23.02 60.33 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.499 0.719 . . . . 0.0 110.695 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 81.5 mt -95.88 -46.97 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 124.357 1.063 . . . . 0.0 109.398 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -71.58 3.07 4.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.73 64.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.689 0.796 . . . . 0.0 112.266 169.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.06 31.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.7 0 CA-C-O 119.398 -0.668 . . . . 0.0 114.025 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -157.21 174.35 15.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.171 0.986 . . . . 0.0 112.299 -168.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.25 5.27 3.51 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.524 0.729 . . . . 0.0 111.534 169.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.81 134.05 18.0 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.18 0.992 . . . . 0.0 109.79 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -61.49 175.81 1.45 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.3 2.666 . . . . 0.0 113.905 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.454 -0.266 0 C-N-CA 124.518 1.127 . . . . 0.0 112.871 -177.746 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mt -99.05 147.21 25.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.653 0.381 . . . . 0.0 111.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.82 139.13 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.715 0.806 . . . . 0.0 109.148 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.12 164.82 27.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 109.825 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.18 96.89 4.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -105.01 162.13 13.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.151 1.38 . . . . 0.0 110.786 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -123.51 169.5 11.35 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.51 135.58 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.561 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.09 -10.79 73.18 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.889 -0.95 . . . . 0.0 114.708 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.94 174.4 8.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.305 1.552 . . . . 0.0 112.396 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -137.55 159.75 41.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -134.41 149.42 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 125.985 1.714 . . . . 0.0 108.533 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -114.39 148.01 38.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.989 0.916 . . . . 0.0 111.55 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 76.6 mt -131.71 135.33 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.749 1.22 . . . . 0.0 109.045 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -131.8 50.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.73 10.04 5.52 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.621 0.769 . . . . 0.0 112.79 174.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -130.04 -19.05 3.26 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.82 140.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.095 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -130.42 144.5 51.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.394 1.078 . . . . 0.0 110.473 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mm -122.23 142.43 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.118 1.767 . . . . 0.0 108.206 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -138.3 136.71 36.71 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.646 0.779 . . . . 0.0 110.432 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -95.56 98.14 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.99 -32.51 72.11 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.137 -0.352 . . . . 0.0 110.509 -172.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.21 170.23 18.54 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.677 0.656 . . . . 0.0 112.94 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -91.03 149.38 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.554 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -139.87 89.85 2.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.034 0.934 . . . . 0.0 108.748 168.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.01 -120.11 13.9 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -172.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.03 -17.75 42.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.656 0.782 . . . . 0.0 112.36 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.87 151.26 25.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.704 0.764 . . . . 0.0 110.445 171.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -135.97 119.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -86.65 124.18 32.64 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.47 140.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.272 1.029 . . . . 0.0 109.741 -168.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.35 143.0 17.95 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.872 0.749 . . . . 0.0 111.243 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.83 139.38 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.52 1.128 . . . . 0.0 109.467 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -129.13 108.08 10.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.426 1.091 . . . . 0.0 109.25 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.74 158.5 75.25 Favored Pre-proline 0 N--CA 1.454 -0.229 0 C-N-CA 124.067 0.947 . . . . 0.0 111.09 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.28 160.03 40.72 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.713 2.275 . . . . 0.0 111.996 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -59.75 -16.68 29.31 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.219 1.008 . . . . 0.0 113.315 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.57 -10.15 59.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.188 1.395 . . . . 0.0 112.193 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -129.07 165.12 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.142 0.977 . . . . 0.0 110.699 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.06 161.14 13.91 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.431 0.692 . . . . 0.0 111.396 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.83 125.33 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.402 0.681 . . . . 0.0 110.519 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -151.99 177.02 10.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.303 1.041 . . . . 0.0 110.167 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -78.62 163.45 25.47 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 168.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.17 -30.53 68.25 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.965 0.506 . . . . 0.0 112.205 -172.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.54 -43.51 79.96 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.114 0.966 . . . . 0.0 111.762 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -90.9 -31.62 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.593 0.757 . . . . 0.0 110.525 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -48.8 -35.56 14.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.621 1.168 . . . . 0.0 112.774 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.7 -21.92 55.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.518 1.127 . . . . 0.0 112.916 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.59 -46.39 32.1 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.417 0.687 . . . . 0.0 109.818 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.515 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.5 mp -66.74 -24.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.579 1.551 . . . . 0.0 110.483 -176.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -85.19 -20.44 30.18 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.1 -48.99 3.19 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -169.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.17 -10.82 0.23 Allowed Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.538 0.59 . . . . 0.0 113.814 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.433 HD12 ' O ' ' F' ' 51' ' ' ILE . 0.0 OUTLIER 67.39 -176.86 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.03 2.132 . . . . 0.0 112.731 168.039 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -78.9 172.76 13.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.906 169.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.28 124.08 37.81 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.443 0.697 . . . . 0.0 111.405 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.72 143.57 94.97 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.316 2.677 . . . . 0.0 113.188 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 125.431 1.492 . . . . 0.0 113.349 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.403 3.203 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.356 3.156 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 112.023 3.823 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.407 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.486 3.286 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.324 3.124 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 C5'-C4'-O4' 114.026 3.447 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.434 ' C5 ' ' HD2' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 O4'-C1'-N19 111.957 3.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C3'-C2'-C1' 103.886 2.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 O5'-C5'-C4' 113.343 2.245 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.369 0 C5'-C4'-C3' 110.188 -3.541 . 0.06 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.907 2.707 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.471 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C5'-C4'-C3' 111.256 -2.83 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C5'-C4'-C3' 108.519 -4.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.778 -2.922 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.862 3.662 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 O4'-C1'-N19 110.306 2.106 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 113.681 5.481 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 2 O4'-C1'-N19 112.999 4.799 . 0.655 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 3 O4'-C1'-N19 114.836 6.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.925 4.725 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 2 O4'-C1'-N19 112.762 4.562 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 111.308 -2.794 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O4'-C1'-N19 112.489 4.289 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 112.116 3.916 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 N19-C1'-C2' 109.001 -2.75 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 111.273 3.073 . 0.563 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 C5'-C4'-C3' 111.677 -2.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.433 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-C3' 112.014 -2.324 . 0.053 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.433 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 111.659 -2.561 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 111.803 3.603 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.419 -2.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 111.492 3.292 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.461 4.261 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.276 -3.424 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.084 -3.616 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 112.076 3.876 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 O4'-C1'-N19 113.533 5.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 110.943 -3.038 . 0.723 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 0 C3'-C2'-C1' 103.95 2.722 . 0.168 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 O4'-C1'-N19 113.165 4.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.459 1 C5'-C4'-C3' 109.157 -4.229 . 0.104 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 112.066 3.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.884 3.684 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 112.844 4.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.643 4.443 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.206 3.006 . 0.396 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 1 O4'-C1'-N19 112.232 4.032 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C3'-C2'-C1' 104.537 3.375 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 99.382 -3.318 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.178 2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C5'-C4'-C3' 111.461 -2.693 . 0.429 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.416 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.258 1 O5'-C5'-C4' 117.175 4.982 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C5'-C4'-C3' 112.009 -2.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 111.865 3.665 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.871 -2.829 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 111.547 3.347 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C5'-C4'-C3' 110.833 -3.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 111.822 -2.452 . 0.146 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 112.121 3.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.539 3.339 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.49 3.29 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 C3'-C2'-C1' 105.149 4.054 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-O4' 114.481 3.772 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 P-O3'-C3' 122.922 2.685 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C3'-C2'-C1' 104.078 2.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 0 C5'-C4'-C3' 111.273 -2.818 . 0.157 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 2 C5'-C4'-C3' 105.658 -6.562 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.43 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.243 1 P-O3'-C3' 125.389 4.741 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 99.806 -2.894 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 O4'-C1'-N19 112.289 4.089 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.295 3.095 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.565 4.365 . 0.271 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 109.77 21.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -87.14 118.91 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.14 129.4 56.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.677 0.751 . . . . 0.0 108.974 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -81.03 141.05 34.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.597 1.159 . . . . 0.0 108.425 171.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' CZ ' HG12 ' A' ' 12' ' ' ILE . 8.7 tpt180 -128.28 161.32 29.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.423 1.489 . . . . 0.0 109.279 -167.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -139.28 150.01 44.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 168.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.0 t -49.67 124.96 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 C-N-CA 122.258 0.223 . . . . 0.0 110.706 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 -5.9 58.39 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.563 1.077 . . . . 0.0 114.764 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.94 159.21 17.76 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.87 1.335 . . . . 0.0 112.185 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -130.59 143.18 50.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.7 mm -117.69 153.7 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 125.338 1.455 . . . . 0.0 109.441 175.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -123.38 136.33 54.59 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.139 0.975 . . . . 0.0 110.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 mt -129.71 130.47 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.211 1.004 . . . . 0.0 109.771 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.83 -130.4 36.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -124.87 1.08 8.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.297 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -134.45 -19.81 1.87 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.01 132.34 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 119.112 0.869 . . . . 0.0 110.478 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -127.08 143.97 51.15 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.799 0.839 . . . . 0.0 109.485 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -124.87 142.11 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.408 1.083 . . . . 0.0 108.417 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -135.35 133.8 39.15 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.419 0.688 . . . . 0.0 110.52 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -87.7 98.09 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 172.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -25.94 62.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -174.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 163.55 -167.96 37.96 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-N 117.794 0.27 . . . . 0.0 113.68 168.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.23 159.12 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 124.102 0.961 . . . . 0.0 111.305 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 m -138.99 74.7 1.48 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.31 1.044 . . . . 0.0 109.865 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.17 -116.63 5.32 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.6 -1.8 32.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.452 0.701 . . . . 0.0 111.804 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -98.91 157.11 16.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.697 0.761 . . . . 0.0 111.971 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.21 125.4 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.833 1.653 . . . . 0.0 108.323 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttm105 -111.09 101.88 10.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.555 0.742 . . . . 0.0 110.283 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -110.63 131.09 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.366 1.466 . . . . 0.0 109.581 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.44 134.69 11.89 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 169.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -107.69 127.61 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.948 1.299 . . . . 0.0 108.117 175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -114.84 74.99 0.9 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.341 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.84 152.78 40.29 Favored Pre-proline 0 N--CA 1.453 -0.288 0 CA-C-N 114.199 -1.364 . . . . 0.0 110.493 171.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -72.52 156.59 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.489 2.126 . . . . 0.0 110.51 176.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -69.59 -0.96 7.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.98 -30.49 71.06 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.695 0.798 . . . . 0.0 111.117 168.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -118.67 143.97 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.831 0.852 . . . . 0.0 111.396 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.99 28.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.721 0.808 . . . . 0.0 110.656 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.79 129.34 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 122.633 0.373 . . . . 0.0 110.301 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -150.52 -175.99 5.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.102 1.361 . . . . 0.0 109.516 -170.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.49 168.06 18.87 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 172.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.78 -33.82 74.77 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.213 1.005 . . . . 0.0 112.752 -169.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.62 -26.09 42.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.166 1.387 . . . . 0.0 112.731 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -115.71 -25.67 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.596 1.558 . . . . 0.0 110.819 -174.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.89 -31.54 72.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.328 -0.857 . . . . 0.0 110.466 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.83 -19.3 61.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.09 0.956 . . . . 0.0 111.309 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.48 -35.94 58.12 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.449 1.1 . . . . 0.0 111.034 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.88 -52.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.703 0.801 . . . . 0.0 109.24 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -84.15 5.2 27.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.884 0.874 . . . . 0.0 112.643 -173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -22.84 66.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.852 0.461 . . . . 0.0 112.128 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.28 -4.45 2.04 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.04 0.829 . . . . 0.0 113.286 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -92.6 90.82 7.28 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 122.15 0.976 . . . . 0.0 111.283 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.6 p -129.95 134.01 47.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.729 -0.607 . . . . 0.0 111.128 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.89 148.86 62.07 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 122.906 0.482 . . . . 0.0 110.795 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -71.46 170.83 17.5 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.734 2.289 . . . . 0.0 112.233 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.58 1.152 . . . . 0.0 112.28 -174.218 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.0 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.58 120.48 42.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.409 HD11 " H5'" ' G' ' 52' ' ' ' A' . 57.9 mt -116.71 139.35 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.791 0.437 . . . . 0.0 111.725 -166.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -132.33 139.77 48.28 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.632 1.173 . . . . 0.0 110.266 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.6 m -112.89 100.91 9.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -125.22 152.91 43.93 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.478 0.711 . . . . 0.0 110.901 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -92.62 169.03 10.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -62.27 134.35 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 110.635 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.31 -3.22 75.73 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.508 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -82.35 160.26 22.88 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 119.041 1.42 . . . . 0.0 111.775 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -130.76 147.88 52.48 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.928 0.891 . . . . 0.0 111.548 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 30.1 mt -134.69 156.02 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.686 1.594 . . . . 0.0 109.397 -170.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -139.16 144.09 38.43 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.537 -0.727 . . . . 0.0 112.588 -170.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -133.32 127.92 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.395 1.078 . . . . 0.0 109.701 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.58 50.79 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.09 5.0 7.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.779 0.832 . . . . 0.0 112.913 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -114.99 -20.73 10.39 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.65 135.39 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 119.144 0.884 . . . . 0.0 111.24 -169.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.8 m -134.56 151.01 50.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.786 1.235 . . . . 0.0 110.07 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.69 147.75 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.271 1.829 . . . . 0.0 108.194 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.3 m -141.2 130.18 23.21 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.786 0.435 . . . . 0.0 110.215 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.39 107.37 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 171.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.442 HD22 ' C2 ' ' G' ' 30' ' ' ' C' . 29.8 mt -76.15 -31.92 58.81 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.171 -0.33 . . . . 0.0 111.056 -178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.22 -175.62 36.98 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-O 120.413 -0.104 . . . . 0.0 113.191 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -113.11 153.9 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.332 0.587 . . . . 0.0 111.477 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -137.66 72.83 1.42 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.948 1.299 . . . . 0.0 108.709 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.86 -114.6 4.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.541 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.32 15.5 23.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.566 0.698 . . . . 0.0 111.426 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -98.94 159.75 14.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.679 -1.146 . . . . 0.0 108.968 167.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.1 t -144.36 118.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.881 0.872 . . . . 0.0 108.825 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.26 34.0 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.291 1.037 . . . . 0.0 109.611 -176.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.13 137.07 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 123.544 0.738 . . . . 0.0 111.151 -168.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.56 142.31 16.02 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 123.755 0.693 . . . . 0.0 112.173 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -126.51 131.91 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.082 0.953 . . . . 0.0 109.082 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -133.07 79.83 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.821 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.49 155.75 58.96 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.653 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -60.3 153.17 61.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 121.711 1.607 . . . . 0.0 109.341 168.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -70.1 -0.85 8.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 122.111 0.958 . . . . 0.0 111.997 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.87 -21.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.928 1.691 . . . . 0.0 110.95 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.49 144.08 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.141 1.376 . . . . 0.0 109.527 175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.08 27.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.32 116.01 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.186 0.994 . . . . 0.0 109.683 171.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.437 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -145.52 160.84 41.02 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.777 1.231 . . . . 0.0 110.811 169.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.0 ptt-85 -67.91 156.69 36.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.725 0.41 . . . . 0.0 111.314 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.46 -40.05 74.21 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.81 -18.67 65.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.24 -50.47 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.939 0.896 . . . . 0.0 110.567 172.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.08 -35.85 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.452 1.101 . . . . 0.0 111.874 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -71.6 -20.81 61.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -79.39 -39.54 32.27 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.482 1.037 . . . . 0.0 110.089 168.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' B' ' 52' ' ' GLN . 90.5 mt -64.44 -40.88 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -176.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.7 mm-40 -79.74 4.98 14.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.64 -19.26 45.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.042 0.537 . . . . 0.0 111.573 168.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.22 46.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 CA-C-O 119.396 -0.669 . . . . 0.0 114.439 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.03 -175.69 2.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.973 0.886 . . . . 0.0 112.844 -168.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.6 p -126.39 178.41 5.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.373 1.469 . . . . 0.0 109.367 167.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.16 118.64 1.16 Allowed Pre-proline 0 N--CA 1.455 -0.21 0 C-N-CA 124.591 1.156 . . . . 0.0 111.676 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -67.08 173.63 8.14 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.101 1.867 . . . . 0.0 113.96 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 124.322 1.049 . . . . 0.0 112.373 175.074 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.216 -0.421 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.25 111.4 22.97 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 166.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.75 134.39 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.941 0.896 . . . . 0.0 109.867 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -129.03 135.71 49.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.599 1.16 . . . . 0.0 109.639 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.5 p -94.89 144.3 25.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.404 0.282 . . . . 0.0 110.789 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.1 123.95 12.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.539 0.336 . . . . 0.0 110.828 -173.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -71.8 149.94 44.83 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 124.196 0.998 . . . . 0.0 109.121 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.59 134.48 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 CA-C-N 119.135 0.88 . . . . 0.0 111.604 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 -5.3 82.67 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.524 1.059 . . . . 0.0 114.254 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -89.85 179.58 5.95 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.134 1.467 . . . . 0.0 112.139 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.4 m -141.13 160.01 41.01 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -166.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.25 157.36 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 127.859 2.464 . . . . 0.0 108.256 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -132.31 148.77 52.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.766 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -133.41 133.39 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.343 1.057 . . . . 0.0 108.913 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.42 -138.42 43.61 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.45 9.95 9.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.979 0.912 . . . . 0.0 111.952 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -118.04 -17.25 9.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.344 1.058 . . . . 0.0 113.143 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.77 140.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 118.833 0.742 . . . . 0.0 111.41 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -129.83 139.66 51.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.965 1.306 . . . . 0.0 109.249 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.99 137.11 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.49 1.116 . . . . 0.0 108.442 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.3 m -131.83 130.44 41.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.619 0.368 . . . . 0.0 110.24 -175.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -84.21 116.65 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 169.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.4 mt -92.59 -34.52 13.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -174.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.69 178.08 38.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 113.846 0.298 . . . . 0.0 113.846 168.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.08 149.13 14.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 C-N-CA 123.628 0.771 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -144.44 98.91 3.28 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.836 1.254 . . . . 0.0 108.696 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -131.22 22.18 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -169.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.1 0.62 57.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.886 0.874 . . . . 0.0 111.959 171.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.91 153.83 20.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.048 0.939 . . . . 0.0 110.565 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.02 121.0 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.067 0.947 . . . . 0.0 108.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.618 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.5 ttm180 -78.43 114.76 17.62 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -122.02 127.79 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.642 1.177 . . . . 0.0 109.476 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.6 135.44 12.36 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 123.782 0.706 . . . . 0.0 111.778 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -119.09 117.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.13 0.972 . . . . 0.0 108.639 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -115.66 94.71 4.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.206 0.603 . . . . 0.0 110.073 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.79 78.61 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.364 1.066 . . . . 0.0 109.905 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -62.65 154.01 68.1 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.596 2.198 . . . . 0.0 111.286 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -66.73 -1.03 3.34 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.339 0.656 . . . . 0.0 112.499 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.9 -22.19 66.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.01 148.04 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.099 0.96 . . . . 0.0 110.74 175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.99 156.98 20.9 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.732 0.413 . . . . 0.0 111.231 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.26 133.75 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.127 0.571 . . . . 0.0 109.641 169.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -154.29 166.06 34.37 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 123.47 0.708 . . . . 0.0 111.487 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.586 HH21 HD22 ' D' ' 4' ' ' LEU . 9.8 ptp85 -82.46 160.99 22.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -32.95 71.46 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.32 -45.6 87.76 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.712 0.805 . . . . 0.0 111.662 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.04 -30.5 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.247 0.619 . . . . 0.0 110.589 -172.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -51.64 -38.73 56.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.671 0.789 . . . . 0.0 111.975 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.98 -28.03 67.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.659 0.784 . . . . 0.0 112.59 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -73.05 -40.58 64.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.22 0.608 . . . . 0.0 111.687 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.454 ' HA ' HD11 ' C' ' 55' ' ' LEU . 3.7 mp -65.96 -21.9 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 121.858 -0.526 . . . . 0.0 110.005 175.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -93.4 2.09 56.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.302 1.041 . . . . 0.0 113.163 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 3.94 7.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.955 0.902 . . . . 0.0 113.029 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.75 -50.93 1.1 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.475 1.036 . . . . 0.0 112.0 172.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' C' ' 51' ' ' ILE . 36.3 mt 58.12 28.43 16.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.608 1.163 . . . . 0.0 113.088 169.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.1 p -82.0 -14.95 55.23 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.179 0.992 . . . . 0.0 112.356 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.95 137.48 30.29 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.251 1.02 . . . . 0.0 110.202 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -64.88 176.91 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.227 2.618 . . . . 0.0 113.447 170.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.831 0.853 . . . . 0.0 112.206 177.248 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.53 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.9 tpp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.19 109.92 19.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.5 mp -93.07 128.14 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.214 1.006 . . . . 0.0 108.74 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . 0.586 HD22 HH21 ' C' ' 44' ' ' ARG . 17.3 mt -112.04 168.14 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.106 0.962 . . . . 0.0 110.047 169.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.17 109.68 12.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.3 130.81 57.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.997 -0.44 . . . . 0.0 111.178 -168.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -73.22 152.24 41.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.746 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.87 137.97 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.343 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.83 -3.28 87.12 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.388 0.994 . . . . 0.0 114.115 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -91.23 171.29 9.34 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.099 1.449 . . . . 0.0 112.009 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 73.5 m -129.58 156.72 43.73 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.482 0.713 . . . . 0.0 112.872 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.92 160.81 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 126.713 2.005 . . . . 0.0 108.85 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -139.57 149.42 43.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.058 0.943 . . . . 0.0 112.053 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.16 138.44 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.833 1.253 . . . . 0.0 109.053 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.41 -136.27 50.82 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -127.53 10.0 6.63 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 112.551 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -128.5 -12.82 4.93 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.49 137.89 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.055 0.843 . . . . 0.0 111.146 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 64.1 m -123.43 150.22 44.08 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.678 1.191 . . . . 0.0 109.722 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -133.67 147.24 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.904 1.681 . . . . 0.0 107.64 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -141.65 131.87 24.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.581 -0.699 . . . . 0.0 109.679 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -88.03 99.5 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.47 -30.91 63.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.875 0.47 . . . . 0.0 110.958 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.03 -172.28 39.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -109.26 158.51 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 121.217 0.532 . . . . 0.0 110.906 169.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 23.4 t -142.76 78.72 1.62 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.85 1.26 . . . . 0.0 108.273 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.43 -115.34 5.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.421 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mp0 -91.55 -14.67 29.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.167 0.987 . . . . 0.0 110.941 175.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -79.46 149.33 31.59 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.797 0.808 . . . . 0.0 110.869 170.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.97 127.17 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttm-85 -93.17 109.87 21.37 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.87 127.7 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.588 0.755 . . . . 0.0 109.922 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 135.8 12.43 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 123.968 0.794 . . . . 0.0 111.12 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.15 140.03 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.411 1.085 . . . . 0.0 108.792 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -138.11 89.91 2.43 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.42 0.688 . . . . 0.0 109.685 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.52 156.67 58.04 Favored Pre-proline 0 N--CA 1.452 -0.333 0 C-N-CA 124.346 1.058 . . . . 0.0 109.874 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -61.34 150.64 84.0 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.156 1.904 . . . . 0.0 110.732 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.51 -1.31 6.37 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.05 -23.26 66.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.891 1.277 . . . . 0.0 111.529 168.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.03 159.23 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.12 157.1 16.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.309 0.643 . . . . 0.0 112.2 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.43 127.04 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.926 0.491 . . . . 0.0 110.054 168.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -150.22 166.65 29.26 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.759 0.824 . . . . 0.0 111.506 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -63.96 157.81 24.01 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 168.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.4 -34.32 77.47 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.446 -0.784 . . . . 0.0 111.682 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.83 -26.32 66.86 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 112.529 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.7 -43.96 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.797 0.839 . . . . 0.0 110.636 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.49 -38.81 14.58 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.84 1.256 . . . . 0.0 112.082 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.51 -21.05 62.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.341 1.057 . . . . 0.0 113.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.43 -44.28 25.14 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.441 1.096 . . . . 0.0 110.223 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.628 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.5 mp -73.18 -18.92 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 125.278 1.431 . . . . 0.0 110.155 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -99.35 -11.71 20.95 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.54 -54.17 2.91 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 119.585 1.084 . . . . 0.0 112.783 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -132.96 -2.45 3.82 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.042 0.829 . . . . 0.0 112.852 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.464 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 63.53 55.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.181 1.392 . . . . 0.0 109.382 166.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 11.2 p -73.96 -13.92 60.96 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -165.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.22 82.19 63.65 Favored Pre-proline 0 N--CA 1.454 -0.26 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 167.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.2 -38.47 91.02 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.697 2.932 . . . . 0.0 113.074 -171.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.452 -0.331 0 C-N-CA 124.101 0.961 . . . . 0.0 111.027 -168.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.95 125.52 41.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.838 0.455 . . . . 0.0 110.75 -168.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.38 131.72 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.59 0.756 . . . . 0.0 109.056 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -126.71 164.96 20.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.495 1.518 . . . . 0.0 110.668 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.58 104.29 6.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 167.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.94 124.68 53.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.61 1.564 . . . . 0.0 109.838 -171.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -90.64 165.73 13.56 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.764 1.165 . . . . 0.0 112.535 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.72 135.69 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.768 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.49 82.11 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 124.14 0.876 . . . . 0.0 114.104 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -95.38 167.17 11.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.56 1.18 . . . . 0.0 111.423 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 66.0 m -131.51 166.12 22.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -168.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -150.45 155.69 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 127.772 2.429 . . . . 0.0 108.222 -167.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -136.41 150.88 48.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.9 mt -136.87 137.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.795 1.238 . . . . 0.0 108.903 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -141.19 46.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -117.15 2.89 12.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.932 0.893 . . . . 0.0 112.026 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.07 -7.09 2.69 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.31 135.93 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.994 0.815 . . . . 0.0 110.841 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -125.98 142.29 51.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 109.865 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.27 140.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.983 1.313 . . . . 0.0 108.413 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -138.11 130.57 29.22 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.117 0.567 . . . . 0.0 109.987 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -82.79 106.89 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.45 -31.08 53.58 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.895 -0.503 . . . . 0.0 111.008 -174.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.31 -175.48 35.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 113.838 0.295 . . . . 0.0 113.838 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.83 158.58 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.85 0.86 . . . . 0.0 112.065 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -150.02 89.97 1.64 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.846 1.258 . . . . 0.0 108.939 169.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.45 -113.48 5.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -174.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.7 -20.59 21.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.557 0.678 . . . . 0.0 111.591 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -74.9 142.19 44.07 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.167 0.508 . . . . 0.0 110.084 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.28 117.98 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -87.86 125.32 34.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.68 132.32 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.732 0.813 . . . . 0.0 110.352 -168.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.33 141.43 15.25 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.347 0.975 . . . . 0.0 111.72 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.4 mt -135.17 124.32 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.899 1.28 . . . . 0.0 108.929 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -125.29 99.73 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.75 155.34 78.14 Favored Pre-proline 0 N--CA 1.452 -0.368 0 C-N-CA 124.489 1.116 . . . . 0.0 110.433 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.2 158.22 40.82 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.857 2.371 . . . . 0.0 112.183 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.59 -1.0 12.02 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.473 0.709 . . . . 0.0 112.702 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -23.16 66.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.814 1.246 . . . . 0.0 111.947 169.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.8 159.21 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.898 0.879 . . . . 0.0 110.925 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.03 16.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.035 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . 0.431 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.07 128.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 122.881 0.472 . . . . 0.0 110.335 169.369 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -152.31 171.23 18.32 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.386 1.074 . . . . 0.0 110.243 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -83.77 163.96 19.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 168.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.57 66.96 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.3 -46.01 83.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.769 0.827 . . . . 0.0 110.602 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -82.33 -39.04 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.562 0.745 . . . . 0.0 109.91 -174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -55.46 -37.04 67.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.105 0.962 . . . . 0.0 112.078 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -67.69 -24.34 65.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.104 0.562 . . . . 0.0 112.51 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -77.4 -25.3 50.71 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.399 0.679 . . . . 0.0 111.323 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 61.8 mt -93.66 -30.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.926 1.29 . . . . 0.0 110.262 -172.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -84.95 3.13 39.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.99 0.41 1.24 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.78 39.28 0.66 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-N 118.698 0.681 . . . . 0.0 113.36 171.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.97 -43.07 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -168.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 48.02 34.86 4.49 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.937 1.295 . . . . 0.0 112.763 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.38 133.52 6.53 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.436 1.094 . . . . 0.0 109.172 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -54.32 128.58 30.6 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.798 2.332 . . . . 0.0 113.253 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.456 -0.144 0 C-N-CA 126.871 2.068 . . . . 0.0 116.002 169.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.844 -0.058 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . 0.431 HD12 HG13 ' E' ' 42' ' ' VAL . 6.7 mt -95.29 148.4 22.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.978 -0.451 . . . . 0.0 111.53 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.46 135.52 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.751 0.82 . . . . 0.0 108.834 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -128.95 161.36 30.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.697 1.199 . . . . 0.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.98 97.14 4.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 168.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -106.18 149.29 26.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.496 1.118 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -96.39 168.84 10.32 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -58.63 141.14 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 0.0 112.298 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.76 83.33 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.079 0.847 . . . . 0.0 113.788 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -91.74 174.6 7.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.74 1.27 . . . . 0.0 112.587 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -132.69 160.49 36.6 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.685 0.794 . . . . 0.0 112.807 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -141.12 157.01 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.253 1.821 . . . . 0.0 108.241 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -134.18 143.47 47.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.647 0.779 . . . . 0.0 111.538 -169.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -135.68 140.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.464 1.106 . . . . 0.0 109.318 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.25 -139.06 48.97 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.48 4.86 11.74 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 172.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -136.46 -13.88 1.74 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.17 135.52 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 119.063 0.847 . . . . 0.0 110.418 -174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -129.64 141.23 50.97 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.786 0.835 . . . . 0.0 110.386 175.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -117.33 142.0 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 C-N-CA 125.855 1.662 . . . . 0.0 108.141 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -134.21 128.18 33.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.311 0.644 . . . . 0.0 109.653 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -84.22 108.78 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.59 -24.51 36.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.483 0.713 . . . . 0.0 111.068 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.58 -170.88 32.38 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.101 0.381 . . . . 0.0 113.878 168.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.95 155.43 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.74 0.816 . . . . 0.0 111.973 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -142.16 89.94 2.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.792 1.237 . . . . 0.0 108.849 169.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.95 -106.78 1.76 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -93.1 -20.81 20.15 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 117.358 0.579 . . . . 0.0 111.808 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -73.04 139.33 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 122.894 0.478 . . . . 0.0 110.11 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.8 t -130.64 113.68 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -88.15 118.54 27.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.255 1.022 . . . . 0.0 109.234 -174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.86 133.47 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.652 0.781 . . . . 0.0 110.374 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.89 142.04 15.4 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.222 0.915 . . . . 0.0 111.283 171.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -130.09 131.08 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.437 1.095 . . . . 0.0 109.458 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -126.3 106.63 9.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.216 1.007 . . . . 0.0 109.234 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.22 158.28 76.0 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 111.336 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.58 161.81 33.81 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.968 2.445 . . . . 0.0 112.341 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.01 -11.66 59.33 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.635 0.774 . . . . 0.0 112.659 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.96 -20.51 66.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.083 1.353 . . . . 0.0 112.594 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -126.89 164.28 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.769 0.828 . . . . 0.0 111.299 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.64 162.84 13.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.135 0.574 . . . . 0.0 111.661 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.01 123.99 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.508 0.723 . . . . 0.0 109.885 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -153.41 173.58 15.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.181 0.992 . . . . 0.0 110.124 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -76.68 158.66 30.85 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 167.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.26 -21.22 66.71 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.71 -46.18 77.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.588 0.755 . . . . 0.0 111.587 171.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.1 -31.63 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.743 0.817 . . . . 0.0 110.203 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.75 -38.57 67.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.47 -25.93 66.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.196 0.598 . . . . 0.0 112.411 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -76.58 -23.0 53.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.432 0.693 . . . . 0.0 111.376 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 76.1 mt -97.64 -32.72 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 125.354 1.462 . . . . 0.0 110.52 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -80.6 3.0 23.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 173.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.89 1.34 2.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.49 38.89 0.82 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 118.836 0.744 . . . . 0.0 113.606 171.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.97 -36.04 0.08 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -168.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m 47.17 44.47 15.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.173 1.389 . . . . 0.0 112.837 -169.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.05 119.53 2.75 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 123.681 0.792 . . . . 0.0 110.278 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.71 145.1 91.44 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 122.977 2.452 . . . . 0.0 112.722 173.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 125.077 1.351 . . . . 0.0 112.921 172.191 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 O4'-C1'-N19 111.839 3.639 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 O4'-C1'-N19 111.411 3.211 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 1 O4'-C1'-N19 112.909 4.709 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 O4'-C1'-N19 112.436 4.236 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.43 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 C3'-C2'-C1' 104.607 3.452 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.43 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 C5'-C4'-C3' 107.619 -5.254 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 1 C5'-C4'-C3' 108.69 -4.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C3'-C2'-C1' 104.248 3.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 O4'-C1'-N19 110.58 2.38 . 0.044 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.61 3.455 . 0.252 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 111.08 2.88 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C3'-C2'-C1' 103.732 2.481 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 110.95 -3.033 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C4'-C3'-C2' 99.717 -2.983 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.7 3.5 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 O4'-C1'-N19 110.586 2.386 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 110.586 -3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 0 C5'-C4'-C3' 111.613 -2.591 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 112.819 4.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.248 4.048 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 2 O4'-C1'-N19 112.678 4.478 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C5'-C4'-C3' 111.565 -2.623 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 1 O4'-C1'-N19 112.786 4.586 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 112.114 3.914 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 N19-C1'-C2' 108.401 -3.124 . 0.446 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 O4'-C1'-N19 111.22 3.02 . 0.501 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.437 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.874 -2.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 112.091 -2.273 . 0.048 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C5'-C4'-C3' 111.282 -2.812 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . 0.442 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 C5'-C4'-C3' 109.361 -4.092 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 P-O3'-C3' 125.244 4.62 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.387 3.187 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.506 4.306 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 99.168 -3.532 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 99.496 -3.204 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 O4'-C1'-N19 112.314 4.114 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 113.744 5.544 . 0.361 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.46 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 111.486 -2.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.46 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.231 3.035 . 0.12 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 O4'-C1'-N19 113.311 5.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.478 0 C5'-C4'-C3' 109.516 -3.989 . 0.071 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.521 4.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C5'-C4'-C3' 112.123 -2.252 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.283 4.083 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.252 4.052 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.203 3.003 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 1 O4'-C1'-N19 112.751 4.551 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.375 1 C3'-C2'-C1' 105.56 4.511 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 112.366 -2.089 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.104 2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 C5'-C4'-C3' 111.621 -2.586 . 0.452 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.409 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.411 -3.468 1 O5'-C5'-C4' 116.843 4.745 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C5'-C4'-C3' 111.471 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.344 4.144 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-O4' 112.808 2.577 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.705 3.505 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 1 O4'-C1'-N19 113.139 4.939 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C5'-C4'-C3' 111.301 -2.8 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.716 3.516 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O4'-C1'-N19 111.428 3.228 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.39 3.19 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C3'-C2'-C1' 104.967 3.853 . 0.13 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 114.201 3.572 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.348 0 P-O3'-C3' 122.587 2.406 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.631 3.479 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 0 C5'-C4'-C3' 110.22 -3.52 . 0.153 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 2 C5'-C4'-C3' 105.351 -6.766 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 P-O3'-C3' 125.36 4.716 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 N19-C1'-C2' 109.073 -2.705 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.249 4.049 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 O4'-C1'-N19 111.257 3.057 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O4'-C1'-N19 111.732 3.532 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.06 109.54 22.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.702 0.801 . . . . 0.0 109.198 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -93.86 136.62 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.006 0.922 . . . . 0.0 109.152 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.97 154.85 50.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.207 1.003 . . . . 0.0 109.745 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -115.66 100.92 8.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.08 133.2 54.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.47 0.708 . . . . 0.0 110.452 -168.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.66 154.32 18.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.768 0.427 . . . . 0.0 109.863 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.97 124.36 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 122.88 0.472 . . . . 0.0 111.004 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.41 -5.87 60.91 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.849 1.214 . . . . 0.0 114.44 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -96.97 169.05 10.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.796 1.298 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -135.92 150.1 49.19 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -168.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 5.9 mm -106.68 158.41 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 125.876 1.67 . . . . 0.0 109.67 169.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -130.71 138.97 50.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.615 1.166 . . . . 0.0 110.13 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.7 mt -132.9 130.5 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.17 0.988 . . . . 0.0 109.55 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.53 -126.1 27.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.96 3.62 4.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.641 0.777 . . . . 0.0 112.358 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -136.77 -20.17 1.32 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -169.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.96 136.33 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.858 0.754 . . . . 0.0 110.221 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -130.8 141.66 50.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.765 0.826 . . . . 0.0 109.418 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.32 141.86 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.63 1.172 . . . . 0.0 108.147 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -135.84 132.95 37.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.635 0.652 . . . . 0.0 110.324 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.1 tp -83.39 101.11 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 169.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.29 -28.8 61.35 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.026 -0.421 . . . . 0.0 110.115 -175.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.96 -169.26 38.81 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 122.938 0.304 . . . . 0.0 113.399 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.28 153.25 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.696 0.798 . . . . 0.0 111.519 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -138.38 60.96 1.6 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.878 1.271 . . . . 0.0 109.681 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.74 -123.52 6.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -76.95 -18.45 58.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.418 0.609 . . . . 0.0 112.222 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.8 pt20 -98.77 149.74 22.55 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.36 1.076 . . . . 0.0 112.053 174.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.14 126.38 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.841 1.657 . . . . 0.0 108.961 -168.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -90.94 101.99 14.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.853 0.861 . . . . 0.0 109.667 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -110.08 133.77 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.472 1.109 . . . . 0.0 109.677 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.92 140.9 15.78 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.974 0.797 . . . . 0.0 111.682 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -114.41 136.18 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 125.48 1.512 . . . . 0.0 108.325 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.29 74.96 1.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.005 . . . . 0.0 109.233 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.04 154.4 39.57 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 125.247 1.419 . . . . 0.0 110.7 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.03 153.14 57.68 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.581 2.187 . . . . 0.0 110.35 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -68.95 -3.84 14.39 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -69.28 -25.48 64.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.939 0.896 . . . . 0.0 112.073 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -115.62 144.02 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.875 0.845 . . . . 0.0 111.693 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.52 143.0 28.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.133 0.973 . . . . 0.0 110.749 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 128.57 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 122.581 0.352 . . . . 0.0 110.387 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -152.41 172.91 15.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.212 1.005 . . . . 0.0 110.567 -170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 163.14 12.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.912 -0.493 . . . . 0.0 110.962 176.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -64.1 -37.32 87.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -75.35 -3.11 31.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -115.73 -31.29 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 111.057 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -66.03 -29.69 70.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.362 -0.836 . . . . 0.0 110.677 -170.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.84 0.856 . . . . 0.0 111.317 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -71.61 -34.23 69.67 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.132 0.973 . . . . 0.0 110.406 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.544 HG22 HE21 ' A' ' 52' ' ' GLN . 86.4 mt -76.07 -52.66 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.319 1.047 . . . . 0.0 109.37 -172.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.544 HE21 HG22 ' A' ' 51' ' ' ILE . 85.9 mm-40 -75.02 5.07 5.61 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.562 -178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.92 -20.82 66.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 168.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.43 19.92 1.64 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 123.896 0.76 . . . . 0.0 113.186 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.75 174.16 8.97 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.637 1.175 . . . . 0.0 111.372 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.3 p -141.04 158.57 43.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.846 0.858 . . . . 0.0 110.849 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.77 150.87 95.31 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 122.951 0.5 . . . . 0.0 111.434 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -74.53 162.4 38.1 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.067 2.511 . . . . 0.0 112.228 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 124.665 1.186 . . . . 0.0 112.334 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -116.6 121.18 40.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.835 1.654 . . . . 0.0 107.603 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.01 142.58 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -164.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.7 mt -144.74 143.88 30.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.734 1.213 . . . . 0.0 111.307 -171.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 134.27 34.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 166.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 2.4 tpm_? -132.9 118.77 19.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.067 0.547 . . . . 0.0 110.163 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 38.6 ttpt -87.06 149.44 24.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 m -55.19 130.69 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.756 -168.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.19 56.27 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.135 0.874 . . . . 0.0 114.805 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.98 164.49 13.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.798 1.299 . . . . 0.0 111.659 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -130.41 159.95 35.49 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -141.22 155.42 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 126.546 1.938 . . . . 0.0 109.306 -172.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -134.77 140.95 46.3 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.737 0.815 . . . . 0.0 111.613 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -132.7 129.73 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 124.353 1.061 . . . . 0.0 109.327 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -135.56 51.78 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -122.85 3.37 9.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.692 0.797 . . . . 0.0 112.22 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -120.48 -17.73 8.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.629 0.771 . . . . 0.0 112.975 -172.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.65 136.53 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.782 0.719 . . . . 0.0 110.786 -171.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -132.85 149.33 52.27 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.737 1.215 . . . . 0.0 109.927 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -128.79 144.51 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 126.029 1.732 . . . . 0.0 108.174 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -138.02 132.87 32.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 122.809 0.444 . . . . 0.0 110.502 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.94 100.15 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.68 -32.67 68.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.582 -0.699 . . . . 0.0 111.101 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.53 178.84 36.72 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 122.702 0.192 . . . . 0.0 112.849 173.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.43 147.84 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -131.43 71.18 1.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 0.0 108.686 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 -112.54 3.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.58 13.19 25.45 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 111.711 170.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.01 156.25 17.02 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.319 1.047 . . . . 0.0 109.093 167.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.0 t -137.58 119.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.88 120.85 29.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.282 1.033 . . . . 0.0 109.789 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.71 133.72 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.324 1.05 . . . . 0.0 109.823 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 138.93 14.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -121.1 132.33 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.839 0.828 . . . . 0.0 109.541 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -133.0 75.91 1.65 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.666 -168.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.1 157.41 55.44 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.605 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -60.29 155.53 45.68 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 121.695 1.597 . . . . 0.0 109.786 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -70.43 -0.82 9.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.902 0.881 . . . . 0.0 111.669 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.84 -23.96 66.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.997 1.719 . . . . 0.0 111.087 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.23 144.09 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.63 1.172 . . . . 0.0 109.828 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.54 142.03 29.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.461 0.648 . . . . 0.0 111.185 171.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 t -142.2 96.53 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.019 -166.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.08 159.38 43.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.781 0.433 . . . . 0.0 111.895 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.5 ptt-85 -66.4 159.98 25.77 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.037 0.535 . . . . 0.0 111.899 170.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.56 -39.54 76.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.171 0.588 . . . . 0.0 112.267 -173.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.97 -2.17 11.8 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -105.56 -51.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.143 0.977 . . . . 0.0 109.762 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -50.11 -37.52 34.43 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.968 1.307 . . . . 0.0 112.058 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.47 -21.81 62.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.7 -42.73 27.65 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 118.966 0.803 . . . . 0.0 110.138 169.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.3 mt -63.19 -38.5 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 123.315 0.646 . . . . 0.0 109.355 -174.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.51 ' NE2' HG22 ' B' ' 51' ' ' ILE . 22.9 mm-40 -81.33 4.0 22.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 174.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.49 -18.72 44.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.282 0.633 . . . . 0.0 111.816 169.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.63 49.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.664 0 C-N-CA 123.411 0.529 . . . . 0.0 113.968 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.97 -177.2 2.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 117.535 0.668 . . . . 0.0 112.468 -168.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 37.9 p -127.55 -175.67 3.53 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.142 1.377 . . . . 0.0 109.644 168.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 123.88 2.8 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 124.023 0.929 . . . . 0.0 111.27 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.92 168.48 7.17 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.855 2.37 . . . . 0.0 114.294 -169.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.971 1.308 . . . . 0.0 113.096 -178.475 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpp . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 110.07 19.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 167.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.06 133.54 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.156 0.983 . . . . 0.0 109.663 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -131.63 134.98 46.57 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.316 1.046 . . . . 0.0 109.686 171.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.3 p -106.97 140.67 39.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.529 0.332 . . . . 0.0 111.076 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.608 ' HE ' ' CG2' ' C' ' 22' ' ' ILE 0.275 0.0 OUTLIER -146.17 161.3 40.51 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.737 165.511 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.9 tptm -74.84 156.25 36.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.986 1.714 . . . . 0.0 109.861 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -57.97 138.98 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 118.856 0.753 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.55 -4.98 82.57 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.708 1.147 . . . . 0.0 114.507 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.02 177.62 6.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.97 1.385 . . . . 0.0 112.971 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -139.25 156.84 46.79 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.36 1.064 . . . . 0.0 113.096 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.461 HG13 ' HD3' ' C' ' 6' ' ' ARG . 9.7 mt -146.35 151.48 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 126.874 2.07 . . . . 0.0 108.708 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -117.2 148.13 41.88 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.185 0.994 . . . . 0.0 111.517 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -130.94 127.79 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.68 1.192 . . . . 0.0 108.658 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.8 -134.38 51.88 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.256 -1.137 . . . . 0.0 110.256 -169.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.58 7.2 6.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.714 0.806 . . . . 0.0 111.782 168.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -111.42 -19.95 12.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.336 1.054 . . . . 0.0 112.94 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.38 139.13 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.461 0.705 . . . . 0.0 110.814 -170.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -129.37 141.37 51.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.366 1.066 . . . . 0.0 109.741 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -119.67 139.57 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.271 1.428 . . . . 0.0 108.507 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -135.83 130.19 33.57 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.886 0.474 . . . . 0.0 110.156 -174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.608 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.4 tp -85.38 122.58 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.9 mt -97.15 -37.59 10.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -176.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.82 -173.24 43.39 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.48 -0.39 . . . . 0.0 113.877 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.31 152.24 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 C-N-CA 123.525 0.73 . . . . 0.0 110.896 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.21 93.08 2.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.008 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -126.05 10.82 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.1 -0.18 57.11 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.919 0.887 . . . . 0.0 112.139 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.84 153.23 22.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.51 0.724 . . . . 0.0 110.901 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.12 125.41 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 107.799 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 38.1 ttm-85 -88.7 117.32 27.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -120.28 130.84 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 125.189 1.396 . . . . 0.0 109.032 -175.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.97 139.63 14.56 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.956 0.789 . . . . 0.0 111.427 172.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -124.88 123.8 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.355 1.062 . . . . 0.0 108.497 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -121.78 92.39 3.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.374 0.669 . . . . 0.0 109.604 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.53 156.67 76.82 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.474 1.109 . . . . 0.0 109.684 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.44 150.82 83.39 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.361 2.04 . . . . 0.0 110.767 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -66.11 -0.95 2.74 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.515 0.726 . . . . 0.0 112.456 172.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.9 -23.99 66.75 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.505 1.122 . . . . 0.0 111.443 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -121.29 148.83 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.116 0.966 . . . . 0.0 110.546 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 156.95 20.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.514 0.325 . . . . 0.0 111.326 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.11 130.86 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 123.118 0.567 . . . . 0.0 109.532 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -155.91 165.38 36.66 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.308 0.643 . . . . 0.0 111.707 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -83.44 161.97 21.14 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.31 -37.03 79.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -168.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -70.77 -19.89 62.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mm -95.67 -35.59 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.545 0.738 . . . . 0.0 110.69 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -51.81 -36.8 49.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.287 1.035 . . . . 0.0 112.375 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.91 -28.53 66.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.817 0.847 . . . . 0.0 112.634 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -68.65 -39.08 80.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.346 0.658 . . . . 0.0 111.776 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.429 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -68.54 -20.91 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -94.73 2.11 55.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.511 1.124 . . . . 0.0 112.839 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.56 4.01 5.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.87 26.19 3.38 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.002 0.811 . . . . 0.0 112.971 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.1 -3.84 28.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.74 0.816 . . . . 0.0 112.868 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 27.3 p -66.99 -16.79 64.58 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.289 1.036 . . . . 0.0 112.591 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.28 138.2 31.24 Favored Pre-proline 0 N--CA 1.452 -0.354 0 C-N-CA 124.179 0.991 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -66.46 174.99 5.52 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.832 2.355 . . . . 0.0 113.054 172.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.49 177.24 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.458 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.2 ttp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.76 117.03 33.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.01 0.924 . . . . 0.0 109.314 170.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.458 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.2 mp -101.21 137.87 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.82 142.56 30.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.025 1.33 . . . . 0.0 108.768 -169.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.61 121.08 44.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -131.16 127.92 39.0 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.486 -0.292 . . . . 0.0 110.924 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.29 154.31 41.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.358 0.526 . . . . 0.0 110.367 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' D' ' 25' ' ' VAL . 15.4 m -52.64 135.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.191 169.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.84 -2.55 82.27 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.476 1.036 . . . . 0.0 114.214 178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -95.79 171.04 8.9 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.005 1.403 . . . . 0.0 112.001 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -128.38 156.6 42.87 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -168.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -141.48 160.24 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 127.566 2.346 . . . . 0.0 108.8 -173.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -140.99 150.72 43.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.14 138.71 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.76 1.224 . . . . 0.0 109.126 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.03 -137.55 50.35 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.35 7.96 9.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.176 0.99 . . . . 0.0 111.761 173.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -133.88 -11.71 2.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.17 138.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 118.777 0.717 . . . . 0.0 110.802 -171.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -122.53 146.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.506 1.123 . . . . 0.0 109.689 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.98 143.78 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.77 1.628 . . . . 0.0 107.64 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -142.15 132.16 24.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.666 -0.646 . . . . 0.0 110.099 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -87.65 93.57 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -69.19 -31.99 70.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.088 0.555 . . . . 0.0 111.116 -169.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -172.11 42.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 121.424 0.458 . . . . 0.0 112.913 170.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -134.81 132.63 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.17 1.388 . . . . 0.0 109.804 -171.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -141.09 88.94 2.2 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.035 0.934 . . . . 0.0 109.568 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -121.9 10.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -171.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -97.09 -12.01 23.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.655 0.782 . . . . 0.0 110.889 174.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -74.37 145.13 44.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 169.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.64 132.45 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -100.63 111.24 23.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.073 1.349 . . . . 0.0 108.657 -169.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.478 HG13 HH12 ' C' ' 6' ' ' ARG . 2.1 mt -125.45 128.15 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.073 -168.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.34 138.61 14.19 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.71 139.74 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.264 1.026 . . . . 0.0 108.343 172.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -138.04 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.67 156.08 59.12 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.622 1.169 . . . . 0.0 109.639 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -61.04 150.14 85.64 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.002 1.801 . . . . 0.0 110.57 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.69 -1.17 6.33 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.01 -23.18 66.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.736 1.215 . . . . 0.0 111.401 168.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.11 160.01 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.187 0.995 . . . . 0.0 110.726 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 157.11 16.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.532 0.733 . . . . 0.0 112.183 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.45 122.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 O-C-N 121.874 -0.516 . . . . 0.0 110.311 168.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -148.73 157.05 43.17 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -64.0 160.26 18.29 Favored 'General case' 0 C--O 1.227 -0.102 0 O-C-N 121.788 -0.57 . . . . 0.0 110.731 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.26 -34.31 76.29 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.325 0.512 . . . . 0.0 111.819 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.32 -51.53 66.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 111.29 170.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -72.59 -40.48 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.256 1.022 . . . . 0.0 110.205 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.9 -39.04 62.42 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.479 1.512 . . . . 0.0 111.9 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.97 -22.93 63.15 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.36 1.064 . . . . 0.0 112.966 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.62 -41.49 45.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.623 0.769 . . . . 0.0 110.566 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.706 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.9 mp -73.19 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 C-N-CA 125.286 1.434 . . . . 0.0 109.934 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.14 0.04 57.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.06 -47.23 3.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.309 1.044 . . . . 0.0 112.507 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.43 6.29 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 CA-C-O 119.005 -0.886 . . . . 0.0 114.878 173.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.54 171.22 0.29 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.822 1.649 . . . . 0.0 112.722 166.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.19 -12.05 0.26 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 166.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.604 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -128.32 -25.91 0.04 OUTLIER Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . 0.604 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 75.5 Cg_exo -60.03 117.96 4.78 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.157 2.571 . . . . 0.0 112.546 173.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 CA--C 1.529 0.149 0 C-N-CA 126.597 1.959 . . . . 0.0 115.077 174.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tt -100.91 119.98 39.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.909 0.484 . . . . 0.0 111.526 -167.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.39 138.07 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.302 1.041 . . . . 0.0 109.728 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -134.22 165.04 26.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.849 1.66 . . . . 0.0 110.817 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.68 98.22 4.27 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 168.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.01 131.18 52.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.623 1.569 . . . . 0.0 111.757 -168.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -81.43 157.66 24.87 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.61 0.243 . . . . 0.0 111.624 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 m -60.72 136.41 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 121.042 0.448 . . . . 0.0 111.533 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.09 -3.27 84.4 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.13 0.872 . . . . 0.0 114.241 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -94.26 167.15 11.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.734 1.267 . . . . 0.0 111.5 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -129.64 159.51 36.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -137.9 157.77 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.798 2.039 . . . . 0.0 108.186 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -136.52 148.7 47.75 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 121.432 -0.793 . . . . 0.0 112.829 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -137.5 138.44 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.669 1.188 . . . . 0.0 109.151 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.82 -136.75 50.95 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.29 10.03 6.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.819 0.848 . . . . 0.0 112.489 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.86 -11.59 4.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.2 136.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 119.212 0.915 . . . . 0.0 111.197 -169.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -127.43 143.18 51.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mm -123.61 143.77 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.304 1.441 . . . . 0.0 108.026 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -138.94 128.47 24.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.785 0.434 . . . . 0.0 109.9 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.2 105.95 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 169.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.86 -33.44 60.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.763 -0.586 . . . . 0.0 110.441 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -178.23 37.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 113.872 0.309 . . . . 0.0 113.872 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.1 151.51 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.688 0.795 . . . . 0.0 111.789 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -141.77 89.85 2.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.913 1.285 . . . . 0.0 108.815 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -112.43 5.0 Favored Glycine 0 CA--C 1.526 0.754 0 O-C-N 121.763 -0.585 . . . . 0.0 111.921 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -89.88 -25.68 20.86 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.58 0.69 . . . . 0.0 111.666 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -72.9 147.29 45.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.234 0.614 . . . . 0.0 110.048 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.81 120.65 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -82.23 114.46 20.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.34 0.656 . . . . 0.0 109.471 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.74 124.51 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.706 0.802 . . . . 0.0 110.001 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.55 140.76 15.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.297 0.951 . . . . 0.0 111.418 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -133.89 127.95 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 109.064 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -131.17 98.98 4.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 156.22 75.94 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.767 1.227 . . . . 0.0 110.018 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.36 157.85 33.92 Favored 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 122.613 2.208 . . . . 0.0 111.849 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -67.73 -0.99 4.58 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.49 169.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.96 -24.92 67.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.077 1.351 . . . . 0.0 111.909 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.71 155.11 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.118 0.967 . . . . 0.0 110.84 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.34 155.1 20.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.408 170.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.27 125.83 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.795 0.438 . . . . 0.0 110.394 169.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -152.03 169.18 22.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.343 1.057 . . . . 0.0 110.039 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 30.8 ptt-85 -76.56 164.47 25.91 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.626 -0.671 . . . . 0.0 110.301 169.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.13 -27.57 68.49 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.88 0.472 . . . . 0.0 112.148 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.5 -43.04 93.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.342 1.057 . . . . 0.0 112.374 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -86.56 -33.34 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.849 0.86 . . . . 0.0 110.279 -171.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -53.78 -34.82 60.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.242 1.017 . . . . 0.0 112.483 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -65.76 -24.69 67.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.547 0.739 . . . . 0.0 112.606 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -74.44 -22.99 58.86 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.457 0.703 . . . . 0.0 110.948 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 80.8 mt -98.16 -33.31 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.358 1.463 . . . . 0.0 110.013 -172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -81.08 3.08 24.56 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.528 0.731 . . . . 0.0 112.964 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.69 -5.44 8.55 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.16 1.171 . . . . 0.0 114.16 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.4 39.53 0.47 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 118.684 0.674 . . . . 0.0 113.593 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.97 -39.67 0.08 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -169.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m 45.07 44.52 8.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.23 1.412 . . . . 0.0 112.851 -169.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.5 3.25 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.846 174.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.45 171.78 4.02 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.583 2.189 . . . . 0.0 113.298 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.454 -0.232 0 C-N-CA 124.886 1.274 . . . . 0.0 113.13 -177.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.099 0.037 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.91 150.79 20.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.678 0.391 . . . . 0.0 111.35 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.26 121.57 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . 0.401 HD13 ' C2 ' ' G' ' 38' ' ' ' A' . 4.0 mm? -110.51 153.14 25.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.884 1.674 . . . . 0.0 108.98 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 104.67 10.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 168.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.69 127.54 55.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.95 1.3 . . . . 0.0 110.19 -169.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -92.8 164.99 13.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 119.46 1.027 . . . . 0.0 112.705 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -59.25 136.33 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.091 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.57 -4.78 76.67 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.25 0.929 . . . . 0.0 114.173 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -97.55 169.51 9.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.72 1.26 . . . . 0.0 111.745 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -133.77 158.13 44.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -169.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 50.4 mt -136.93 150.37 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 126.065 1.746 . . . . 0.0 108.819 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -122.52 148.83 44.71 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.548 0.739 . . . . 0.0 111.808 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -135.64 137.52 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.736 1.214 . . . . 0.0 109.233 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.94 -136.24 50.11 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -120.26 3.09 10.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.758 0.823 . . . . 0.0 112.335 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.91 -13.83 1.42 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.52 134.63 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 119.122 0.873 . . . . 0.0 110.462 -174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -128.65 142.07 51.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.916 0.886 . . . . 0.0 110.373 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -121.18 143.15 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.954 1.702 . . . . 0.0 108.091 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 44.0 m -137.11 130.38 31.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.094 0.558 . . . . 0.0 109.907 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.37 109.29 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.53 -27.77 34.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.142 0.577 . . . . 0.0 111.116 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.67 -175.37 35.0 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 123.3 0.476 . . . . 0.0 113.157 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.08 153.68 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.363 0.665 . . . . 0.0 111.415 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -146.38 89.84 1.89 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.368 1.067 . . . . 0.0 108.721 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.61 -121.98 28.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -171.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.86 -22.01 40.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.3 145.21 39.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.442 0.639 . . . . 0.0 110.494 175.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.23 118.94 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -85.94 127.17 34.56 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -134.37 140.64 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 123.902 0.881 . . . . 0.0 109.925 -169.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 142.1 17.23 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.244 0.926 . . . . 0.0 111.328 174.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.49 135.66 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 124.279 1.032 . . . . 0.0 109.554 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -129.02 109.52 11.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 109.208 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.5 157.67 76.84 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.74 0.816 . . . . 0.0 111.285 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.15 160.44 41.95 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.957 2.438 . . . . 0.0 112.318 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -64.14 -12.3 38.51 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.72 -15.41 61.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.798 1.239 . . . . 0.0 112.587 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.56 163.99 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.888 0.875 . . . . 0.0 111.029 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 161.49 13.77 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.244 0.618 . . . . 0.0 111.462 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -154.96 125.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.485 0.714 . . . . 0.0 110.17 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -152.92 173.71 15.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.194 0.998 . . . . 0.0 109.919 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -77.88 163.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.725 -0.609 . . . . 0.0 109.925 168.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.87 -29.78 69.74 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.776 0.43 . . . . 0.0 112.113 -171.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.39 -44.54 76.22 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.089 0.955 . . . . 0.0 111.67 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -89.65 -30.75 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.551 0.741 . . . . 0.0 110.378 -170.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -50.0 -35.44 24.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.184 0.994 . . . . 0.0 112.644 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -59.65 -21.97 61.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.087 0.955 . . . . 0.0 112.728 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -73.54 -46.74 45.74 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.329 0.652 . . . . 0.0 109.644 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.499 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.9 mp -64.88 -22.9 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.356 1.462 . . . . 0.0 110.474 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -85.3 -41.5 15.47 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 169.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.34 -31.47 9.04 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -166.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.51 -23.63 1.34 Allowed Glycine 0 CA--C 1.525 0.717 0 CA-C-N 118.869 0.759 . . . . 0.0 112.965 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.95 170.36 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.212 2.605 . . . . 0.0 113.402 169.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -98.59 -4.12 34.73 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.785 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.21 134.82 24.59 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.2 1.0 . . . . 0.0 109.931 171.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.94 178.09 1.6 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.107 2.538 . . . . 0.0 113.525 172.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.217 0 C-N-CA 124.286 1.034 . . . . 0.0 112.664 178.428 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.95 3.75 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.647 -3.053 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.527 4.327 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.669 4.469 . 0.159 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.607 3.407 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C4'-C3'-C2' 99.178 -3.522 . 0.072 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.706 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.192 1 O4'-C1'-N19 112.368 4.168 . 0.367 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 111.142 -2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 O5'-C5'-C4' 113.174 2.124 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-C3' 110.027 -3.649 . 0.3 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.104 2.904 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 111.898 -2.401 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 C5'-C4'-C3' 108.665 -4.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C4'-C3'-C2' 100.392 -2.308 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.757 3.557 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 N19-C1'-C2' 109.385 -2.51 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O4'-C1'-N19 112.304 4.104 . 0.081 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 113.449 5.249 . 0.227 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 2 C4'-C3'-C2' 98.221 -4.479 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.927 3.727 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 2 O4'-C1'-N19 112.618 4.418 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 C4'-C3'-C2' 100.19 -2.51 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.482 4.282 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 112.157 3.957 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 N19-C1'-C2' 108.897 -2.815 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 111.459 3.259 . 0.58 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 C5'-C4'-C3' 111.752 -2.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 111.912 -2.392 . 0.086 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C5'-C4'-C3' 111.932 -2.379 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 111.852 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C4'-C3'-C2' 100.469 -2.231 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.264 3.064 . 0.635 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.528 4.328 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 99.227 -3.473 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 99.248 -3.452 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 112.027 3.827 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 C5'-C4'-C3' 109.32 -4.12 . 0.779 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.401 ' C2 ' HD13 ' F' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 111.384 -2.744 . 0.242 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C5'-C4'-C3' 112.978 -1.681 . 0.394 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 O4'-C1'-N19 112.948 4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 1 C5'-C4'-C3' 108.654 -4.564 . 0.046 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 2 C3'-C2'-C1' 105.49 4.434 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C5'-C4'-C3' 109.965 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 O4'-C1'-N19 112.971 4.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.361 4.161 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.127 2.927 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 111.618 3.418 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 1 C3'-C2'-C1' 105.707 4.674 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C4'-C3'-C2' 99.76 -2.94 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C5'-C4'-C3' 111.39 -2.74 . 0.397 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.438 1 O5'-C5'-C4' 116.975 4.839 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C5'-C4'-C3' 112.274 -2.151 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.447 4.247 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-O4' 112.793 2.566 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 112.04 -2.307 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 110.858 -3.094 . 0.014 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 O4'-C1'-N19 113.288 5.088 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 112.073 3.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.639 3.439 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.526 3.326 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.964 3.848 . 0.092 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C5'-C4'-O4' 114.667 3.905 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 P-O3'-C3' 122.946 2.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 P-O3'-C3' 122.485 2.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 111.009 -2.994 . 0.166 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 C5'-C4'-C3' 105.44 -6.707 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 1 P-O3'-C3' 125.506 4.838 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 N19-C1'-C2' 108.82 -2.862 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 112.496 4.296 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.373 3.173 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.38 4.18 . 0.042 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 111.36 23.52 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.518 0.727 . . . . 0.0 109.437 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.59 133.3 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.507 0.723 . . . . 0.0 109.778 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -132.59 162.27 31.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.456 1.102 . . . . 0.0 109.761 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 129.06 47.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -175.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -126.64 165.63 18.84 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.763 0.825 . . . . 0.0 109.931 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -129.09 158.41 39.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 94.3 t -51.16 120.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.545 0.212 . . . . 0.0 110.826 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.93 -5.47 56.43 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.466 1.031 . . . . 0.0 114.53 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -93.18 170.21 9.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.84 1.32 . . . . 0.0 112.151 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -141.02 157.16 45.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 18.0 mm -119.19 155.46 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 126.248 1.819 . . . . 0.0 109.437 169.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -126.71 139.81 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.4 1.08 . . . . 0.0 110.617 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.49 132.72 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.162 0.985 . . . . 0.0 109.707 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.17 27.52 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.46 -3.91 6.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.941 0.896 . . . . 0.0 112.426 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -134.26 -18.7 1.99 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.3 mt -104.26 138.57 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.692 0.678 . . . . 0.0 110.501 -169.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -137.0 147.33 46.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.861 0.864 . . . . 0.0 109.499 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.88 144.08 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.633 1.173 . . . . 0.0 108.413 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -139.7 137.13 34.92 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.47 0.577 . . . . 0.0 110.551 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.97 103.5 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.81 -28.03 50.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.143 -0.348 . . . . 0.0 110.544 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.12 -178.83 42.72 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 117.921 0.328 . . . . 0.0 113.897 169.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 152.16 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.367 1.067 . . . . 0.0 110.985 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -142.62 60.99 1.43 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.576 1.15 . . . . 0.0 110.192 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.1 -121.67 5.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.15 -17.0 53.68 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.201 0.6 . . . . 0.0 111.673 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.99 154.14 18.31 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 171.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.5 t -133.5 140.96 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.397 1.879 . . . . 0.0 108.895 -169.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -107.92 104.58 14.08 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.933 0.893 . . . . 0.0 110.22 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.4 mt -113.06 133.54 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.907 1.283 . . . . 0.0 109.909 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.99 141.85 16.01 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 123.899 0.761 . . . . 0.0 112.018 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.05 138.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.464 1.506 . . . . 0.0 108.432 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -127.01 75.05 1.55 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.408 1.083 . . . . 0.0 109.186 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.87 153.84 42.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.123 1.369 . . . . 0.0 110.667 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.39 155.96 55.05 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.455 2.103 . . . . 0.0 110.6 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -69.14 -1.31 7.45 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.9 -31.05 71.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.937 0.895 . . . . 0.0 111.245 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.4 144.01 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 121.844 0.83 . . . . 0.0 111.4 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.53 143.06 27.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.727 0.811 . . . . 0.0 110.704 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.71 130.71 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.582 0.353 . . . . 0.0 110.085 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.9 163.91 35.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.853 0.861 . . . . 0.0 110.87 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 162.95 21.86 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.537 171.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.47 -36.72 84.71 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 119.292 0.951 . . . . 0.0 111.817 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -64.97 -10.14 27.01 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.724 1.21 . . . . 0.0 113.804 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 7.0 mt -122.5 -9.01 8.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 124.704 1.202 . . . . 0.0 111.149 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -80.09 -40.2 28.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.328 -1.483 . . . . 0.0 110.664 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.9 -21.97 60.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.932 0.493 . . . . 0.0 111.832 -175.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.5 ptp180 -78.13 -34.71 49.75 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.646 0.779 . . . . 0.0 111.97 172.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.771 HG22 HE21 ' A' ' 52' ' ' GLN . 75.1 mt -62.47 -50.59 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 123.31 0.644 . . . . 0.0 109.473 170.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.771 HE21 HG22 ' A' ' 51' ' ' ILE . 66.8 mm-40 -84.08 5.06 27.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.21 66.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.986 0.357 . . . . 0.0 111.439 170.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.72 -15.8 2.0 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.268 0.937 . . . . 0.0 112.302 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -82.39 90.5 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 123.055 1.407 . . . . 0.0 110.655 -172.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -177.45 -41.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 113.838 -1.528 . . . . 0.0 107.379 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.86 163.76 64.82 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 126.709 2.003 . . . . 0.0 112.031 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.36 -38.3 20.75 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.285 2.657 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.437 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.463 -0.303 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -111.92 120.11 40.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 168.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.42 HD11 " H5'" ' G' ' 52' ' ' ' A' . 61.5 mt -116.04 140.42 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.797 -166.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -135.69 144.49 45.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.561 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -102.25 130.77 49.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -139.08 124.7 19.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.025 0.53 . . . . 0.0 110.985 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -80.68 151.08 29.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.298 172.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 21.1 m -55.53 129.28 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.164 0.507 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.31 60.12 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 124.0 0.809 . . . . 0.0 114.885 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -91.75 160.77 15.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.894 1.347 . . . . 0.0 111.218 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -127.75 161.11 29.74 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -169.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.4 mt -143.88 158.64 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.65 1.98 . . . . 0.0 108.972 -171.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -141.02 144.46 35.01 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.755 0.822 . . . . 0.0 111.927 -170.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -134.78 129.03 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.487 1.115 . . . . 0.0 109.66 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -135.74 51.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -125.28 5.06 7.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.878 0.871 . . . . 0.0 112.753 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -115.14 -22.66 9.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.74 136.54 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 119.009 0.822 . . . . 0.0 111.393 -169.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -132.18 149.19 52.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.874 1.27 . . . . 0.0 109.889 171.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -130.5 145.27 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 126.129 1.771 . . . . 0.0 108.325 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -138.57 134.44 33.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.837 0.455 . . . . 0.0 110.468 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.79 97.53 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.4 HD22 ' C2 ' ' G' ' 30' ' ' ' C' . 19.6 mt -67.83 -34.26 76.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.55 -0.719 . . . . 0.0 111.253 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 165.98 -176.55 41.34 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 122.156 -0.068 . . . . 0.0 113.22 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.89 153.6 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.004 0.522 . . . . 0.0 110.615 173.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -135.9 76.44 1.61 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 108.945 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.62 -117.77 4.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.48 9.48 43.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.015 0.526 . . . . 0.0 110.832 173.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.0 158.7 15.47 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.247 1.019 . . . . 0.0 110.523 169.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.26 119.85 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.988 1.315 . . . . 0.0 109.062 -168.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.48 124.0 38.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.699 1.2 . . . . 0.0 109.52 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.6 132.9 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.794 0.838 . . . . 0.0 110.421 -169.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.38 139.94 14.74 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 37.3 mt -123.5 132.46 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.932 0.893 . . . . 0.0 109.51 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -133.0 75.03 1.6 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.358 -168.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.01 157.44 50.56 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -59.82 158.4 29.06 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.086 1.857 . . . . 0.0 111.36 169.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -72.1 -0.85 12.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.496 0.718 . . . . 0.0 112.61 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.99 -23.25 66.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.96 1.304 . . . . 0.0 112.035 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.6 144.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.225 1.01 . . . . 0.0 110.458 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.81 142.3 29.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.772 0.796 . . . . 0.0 111.686 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.28 96.55 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.257 -166.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.04 159.31 42.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.26 0.552 . . . . 0.0 111.686 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.6 ptt-85 -68.98 158.08 35.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.948 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -55.3 -41.78 72.81 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.46 0.704 . . . . 0.0 112.377 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -63.28 -17.33 62.39 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mm -94.13 -50.37 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.238 1.015 . . . . 0.0 110.511 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -50.52 -36.9 36.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.917 1.287 . . . . 0.0 112.049 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -69.83 -21.99 63.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -79.51 -41.46 27.33 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.288 0.949 . . . . 0.0 110.01 169.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' NE2' ' B' ' 52' ' ' GLN . 94.3 mt -62.5 -39.72 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.518 ' NE2' HG22 ' B' ' 51' ' ' ILE . 29.1 mm-40 -81.49 5.13 18.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.28 -17.31 46.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.489 0.716 . . . . 0.0 111.869 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.54 45.76 0.1 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-O 119.644 -0.531 . . . . 0.0 114.011 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.07 -177.41 2.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.851 0.826 . . . . 0.0 112.679 -168.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -131.53 -167.35 1.85 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.176 1.391 . . . . 0.0 108.779 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.36 134.76 24.44 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 118.308 0.504 . . . . 0.0 111.162 -170.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -45.73 162.87 0.1 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 1 C-N-CA 125.55 4.167 . . . . 0.0 115.921 -178.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 125.423 1.489 . . . . 0.0 113.501 170.149 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.63 105.43 13.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 166.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.51 134.09 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.602 0.761 . . . . 0.0 109.631 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.8 mt -129.83 134.94 47.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.144 0.978 . . . . 0.0 109.347 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -90.94 148.81 22.19 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.452 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.2 ttp180 -146.05 141.51 27.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.012 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -94.29 147.61 23.03 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.25 134.4 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-N 119.207 0.912 . . . . 0.0 111.896 -172.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -8.6 73.8 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.958 1.266 . . . . 0.0 114.763 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -89.16 -176.91 5.28 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.491 1.646 . . . . 0.0 112.441 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -143.36 160.72 40.02 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.452 HG13 ' HD3' ' C' ' 6' ' ' ARG . 66.4 mt -137.57 157.77 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.452 2.301 . . . . 0.0 108.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -125.44 147.13 49.32 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.573 1.149 . . . . 0.0 111.428 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -134.14 136.64 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 124.648 1.179 . . . . 0.0 108.902 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.13 -138.77 44.86 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.589 -0.605 . . . . 0.0 111.589 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.54 7.41 11.8 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.109 0.963 . . . . 0.0 111.408 169.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -128.57 -13.04 4.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.013 0.925 . . . . 0.0 113.313 -169.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.21 141.23 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.646 0.657 . . . . 0.0 110.836 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -131.59 142.54 49.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.871 1.269 . . . . 0.0 109.079 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -124.75 144.1 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.547 1.139 . . . . 0.0 108.198 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -135.28 141.97 45.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.341 0.657 . . . . 0.0 110.405 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.45 120.39 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.542 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.8 mt -93.4 -40.24 10.48 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -176.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.27 -177.41 43.54 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.894 168.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.97 149.04 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.653 0.781 . . . . 0.0 110.455 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 m -143.76 101.86 3.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.628 1.171 . . . . 0.0 108.727 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.55 24.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -169.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.56 0.18 56.51 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.912 0.885 . . . . 0.0 112.004 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -87.45 152.89 21.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 110.734 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.76 125.35 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 124.356 1.062 . . . . 0.0 108.653 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -84.64 113.52 21.33 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 mt -119.13 134.06 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.969 1.308 . . . . 0.0 109.222 -174.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.29 141.78 15.4 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.052 0.834 . . . . 0.0 112.134 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -129.73 124.28 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 108.86 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -124.67 95.09 4.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.241 0.616 . . . . 0.0 110.174 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.77 157.24 78.38 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.29 1.036 . . . . 0.0 110.046 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -63.21 153.35 74.71 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.54 2.16 . . . . 0.0 111.162 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.73 -0.91 2.38 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.377 0.671 . . . . 0.0 112.641 171.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.86 -22.14 66.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.369 1.068 . . . . 0.0 111.249 169.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -125.27 147.36 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.195 0.998 . . . . 0.0 110.464 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.04 156.36 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.573 0.349 . . . . 0.0 111.144 174.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.25 132.79 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 169.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -153.68 164.62 37.98 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.151 0.581 . . . . 0.0 111.728 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 60.3 mtm-85 -78.98 155.73 28.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.417 -0.956 . . . . 0.0 108.417 166.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.54 -34.9 71.51 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.825 0.739 . . . . 0.0 111.539 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.98 -26.29 66.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.31 1.044 . . . . 0.0 113.491 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.9 mm -91.91 -37.1 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.929 0.892 . . . . 0.0 110.396 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.09 -35.09 59.23 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.972 1.309 . . . . 0.0 112.47 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.54 -29.2 67.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.13 -38.22 81.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.74 0.816 . . . . 0.0 111.829 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -69.59 -19.02 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -95.72 1.8 53.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.855 0.862 . . . . 0.0 112.634 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.21 -2.74 58.85 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.861 0.864 . . . . 0.0 113.149 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.48 6.9 60.83 Favored Glycine 0 CA--C 1.525 0.68 0 CA-C-O 119.579 -0.567 . . . . 0.0 112.855 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 57.23 -154.51 0.34 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.751 1.22 . . . . 0.0 111.089 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 34.7 p -82.03 -5.41 58.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.845 0.858 . . . . 0.0 112.47 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.4 73.77 76.62 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 112.049 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -62.02 -46.89 11.76 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.925 2.417 . . . . 0.0 112.363 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.024 0.93 . . . . 0.0 111.634 -168.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.471 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -113.44 113.38 25.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.019 1.728 . . . . 0.0 109.042 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -104.58 138.92 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.244 1.418 . . . . 0.0 109.215 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -131.85 166.66 21.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.951 1.3 . . . . 0.0 111.37 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.76 109.95 15.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 0.0 108.803 168.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -113.94 131.46 56.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.197 0.999 . . . . 0.0 109.701 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -77.73 157.57 30.02 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.969 0.804 . . . . 0.0 110.043 168.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -57.47 136.16 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.581 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.31 85.04 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.29 0.948 . . . . 0.0 114.127 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -96.51 176.32 6.07 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.989 1.395 . . . . 0.0 111.891 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -133.84 160.01 38.93 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -168.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -143.18 160.96 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 127.848 2.459 . . . . 0.0 108.565 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -139.76 153.02 47.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.076 0.95 . . . . 0.0 112.463 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.4 140.19 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.903 1.281 . . . . 0.0 109.127 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.8 -136.84 50.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -124.51 9.97 8.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.115 0.966 . . . . 0.0 111.638 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.35 -10.83 2.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.76 137.93 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.78 0.718 . . . . 0.0 110.587 -172.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -123.71 148.45 46.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.508 1.123 . . . . 0.0 109.787 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.52 141.35 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 125.402 1.481 . . . . 0.0 107.906 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -135.84 135.32 39.71 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.085 0.554 . . . . 0.0 109.664 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -93.24 102.34 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.12 -29.32 54.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.444 0.698 . . . . 0.0 110.899 -169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.32 -170.54 38.78 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 122.842 0.258 . . . . 0.0 112.669 170.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.48 159.06 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.343 0.657 . . . . 0.0 110.886 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -143.54 73.37 1.39 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.015 0.926 . . . . 0.0 108.979 173.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.12 -113.43 3.66 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.83 -7.85 51.18 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.862 0.865 . . . . 0.0 110.199 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.69 157.51 25.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 122.129 0.966 . . . . 0.0 112.672 170.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 t -130.86 124.14 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 126.529 1.932 . . . . 0.0 106.841 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -92.63 115.58 28.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.61 127.77 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.177 0.591 . . . . 0.0 110.392 -168.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 135.05 12.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.38 138.44 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -138.08 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.057 0.543 . . . . 0.0 109.973 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.71 157.88 53.3 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.326 1.05 . . . . 0.0 110.007 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.7 151.62 84.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.185 1.923 . . . . 0.0 110.671 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.82 -1.62 7.6 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 175.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.09 -22.69 66.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.848 1.259 . . . . 0.0 111.621 168.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.51 160.02 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.191 0.996 . . . . 0.0 110.965 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.66 157.01 16.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.374 0.669 . . . . 0.0 112.616 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.28 121.98 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 122.949 0.5 . . . . 0.0 110.364 167.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -150.1 160.02 43.97 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.787 0.835 . . . . 0.0 111.501 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -63.82 159.45 19.49 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.656 169.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.56 -31.18 71.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.327 0.651 . . . . 0.0 111.64 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.35 -43.07 88.18 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 124.134 0.973 . . . . 0.0 111.945 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -86.25 -36.75 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.697 1.199 . . . . 0.0 110.422 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -52.3 -42.91 64.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.966 0.906 . . . . 0.0 110.885 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.23 -25.71 67.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 4.0 mtt85 -73.58 -42.33 61.73 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 118.964 0.802 . . . . 0.0 110.433 171.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 80.1 mt -69.47 -32.87 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.442 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 2.03 38.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.981 0.912 . . . . 0.0 110.784 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -82.27 -6.32 59.15 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.532 1.133 . . . . 0.0 112.625 171.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 46.18 0.55 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.671 0.653 . . . . 0.0 113.481 170.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.0 pp -158.13 173.47 16.67 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.137 0.975 . . . . 0.0 111.191 -171.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 41.1 m -100.79 -50.16 3.94 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.657 0.383 . . . . 0.0 111.647 169.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.726 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -160.92 -17.14 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.272 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 171.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . 0.726 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 45.1 Cg_exo -69.86 -169.21 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 CA-C-N 121.318 1.506 . . . . 0.0 113.263 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.428 1.091 . . . . 0.0 112.736 -178.186 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ttt . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt -131.96 125.84 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.602 1.161 . . . . 0.0 109.44 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mm -108.11 140.99 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 124.345 1.058 . . . . 0.0 110.019 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 44.7 mt -138.63 162.55 34.32 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.071 1.349 . . . . 0.0 111.302 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.98 106.2 6.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 166.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -118.79 141.71 48.38 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.918 1.287 . . . . 0.0 110.221 -173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -100.43 168.82 9.5 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -59.02 136.11 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.396 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.88 -6.88 81.82 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.213 0.911 . . . . 0.0 114.302 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -91.08 168.1 11.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.743 1.272 . . . . 0.0 111.477 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -135.12 159.94 39.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -143.02 157.56 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.52 1.928 . . . . 0.0 107.913 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.84 149.23 47.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.94 141.39 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.847 1.259 . . . . 0.0 108.899 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -133.89 52.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -173.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -126.49 4.87 6.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.906 0.882 . . . . 0.0 111.501 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -133.82 -4.41 2.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.917 0.887 . . . . 0.0 113.381 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.34 136.42 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.764 0.711 . . . . 0.0 110.739 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -128.78 141.79 51.2 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.463 1.105 . . . . 0.0 109.9 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -121.81 140.08 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 125.298 1.439 . . . . 0.0 108.183 176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -137.06 126.2 24.56 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.021 0.529 . . . . 0.0 110.021 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -76.28 112.26 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 169.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.48 -33.54 48.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.491 0.317 . . . . 0.0 110.543 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 -175.39 36.51 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.101 0.382 . . . . 0.0 113.568 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.64 155.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 C-N-CA 123.488 0.715 . . . . 0.0 112.39 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -145.64 89.97 1.96 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.436 1.494 . . . . 0.0 109.212 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.41 -114.58 4.74 Favored Glycine 0 CA--C 1.526 0.765 0 O-C-N 121.656 -0.653 . . . . 0.0 111.927 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -87.98 -18.61 28.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.718 0.759 . . . . 0.0 111.18 171.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.93 150.93 30.37 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.03 0.919 . . . . 0.0 111.041 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -144.46 110.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -86.39 124.61 32.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.42 133.06 57.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.048 0.539 . . . . 0.0 110.851 -168.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.96 143.93 16.97 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.381 0.991 . . . . 0.0 111.918 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.95 124.81 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.257 1.423 . . . . 0.0 108.846 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -125.5 100.22 6.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.163 0.585 . . . . 0.0 109.742 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.25 155.66 72.27 Favored Pre-proline 0 N--CA 1.452 -0.36 0 C-N-CA 124.428 1.091 . . . . 0.0 110.495 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.64 158.88 34.88 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.708 2.272 . . . . 0.0 111.902 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -69.05 -0.77 6.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.41 0.684 . . . . 0.0 112.591 169.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -22.88 67.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.957 1.303 . . . . 0.0 111.562 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.86 156.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.178 0.991 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.0 157.3 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.764 0.426 . . . . 0.0 111.729 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.95 125.0 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.249 169.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -150.56 167.0 28.53 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.128 0.971 . . . . 0.0 110.865 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' F' ' 12' ' ' ILE . 49.8 ttt180 -66.51 154.52 40.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -58.24 -24.63 59.94 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.84 0.456 . . . . 0.0 111.708 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.99 -48.51 73.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.611 1.164 . . . . 0.0 111.795 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.49 -32.06 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.158 -176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -55.58 -34.79 65.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.452 0.701 . . . . 0.0 112.179 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.45 -23.51 61.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -71.12 -23.06 62.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.071 0.549 . . . . 0.0 110.581 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.99 -46.47 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 C-N-CA 124.032 0.933 . . . . 0.0 109.458 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -71.8 3.0 4.56 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -25.16 66.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.609 0.764 . . . . 0.0 112.439 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.54 30.25 0.03 OUTLIER Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.429 -0.65 . . . . 0.0 114.363 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.09 -179.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.175 0.987 . . . . 0.0 111.604 -169.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.3 m -125.64 -22.71 4.19 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.206 0.602 . . . . 0.0 111.647 169.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.61 132.0 24.24 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 124.12 0.968 . . . . 0.0 110.257 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -63.62 177.62 1.65 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.203 2.602 . . . . 0.0 114.165 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.453 -0.309 0 C-N-CA 124.617 1.167 . . . . 0.0 112.378 -178.645 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.16 148.08 23.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 122.056 -0.402 . . . . 0.0 111.564 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.47 134.58 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.27 162.66 25.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 109.77 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.57 97.03 4.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.529 0.681 . . . . 0.0 109.559 169.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.544 ' HD3' HD11 ' F' ' 12' ' ' ILE . 2.9 ttp180 -104.91 162.11 13.62 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.097 1.359 . . . . 0.0 110.396 -175.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -117.05 172.15 7.46 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -56.37 136.23 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.506 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.06 -4.52 81.35 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.328 0.966 . . . . 0.0 114.777 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . 0.406 ' HB2' ' HE ' ' F' ' 6' ' ' ARG . 76.9 mm-40 -90.04 170.15 10.58 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.906 1.353 . . . . 0.0 112.297 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -137.79 153.92 49.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' F' ' 6' ' ' ARG . 50.4 mm -127.06 154.78 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 C-N-CA 126.613 1.965 . . . . 0.0 108.431 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -121.68 148.13 44.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.618 0.767 . . . . 0.0 111.673 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -133.67 144.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.676 1.19 . . . . 0.0 108.943 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.29 -132.17 51.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.43 7.82 7.05 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.626 0.77 . . . . 0.0 111.785 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -139.34 -14.01 1.14 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -101.74 138.12 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.966 0.803 . . . . 0.0 110.291 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -127.21 142.52 51.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.131 0.973 . . . . 0.0 110.321 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -122.47 139.69 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 125.249 1.42 . . . . 0.0 108.321 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.2 m -135.84 137.57 41.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.697 0.799 . . . . 0.0 110.3 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . 0.416 HG22 HH21 ' F' ' 6' ' ' ARG . 2.6 tp -94.58 109.22 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 175.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.74 -32.57 52.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.116 -0.365 . . . . 0.0 110.523 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.66 -174.89 37.39 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 122.885 0.279 . . . . 0.0 113.515 169.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -117.85 159.64 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 C-N-CA 123.573 0.749 . . . . 0.0 112.117 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.05 90.09 1.65 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.55 1.14 . . . . 0.0 109.039 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.44 -102.97 1.25 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 121.88 -0.512 . . . . 0.0 111.997 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -99.81 -19.64 16.59 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.475 0.637 . . . . 0.0 112.001 171.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -74.61 145.11 43.56 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.348 0.594 . . . . 0.0 110.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -137.23 112.73 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -174.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -88.16 125.3 34.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.298 0.639 . . . . 0.0 109.658 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.34 142.25 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.419 1.088 . . . . 0.0 110.122 -168.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.39 140.4 16.31 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 123.962 0.791 . . . . 0.0 111.359 170.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mt -127.72 136.13 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.365 1.066 . . . . 0.0 109.312 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -131.52 107.4 8.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.549 0.74 . . . . 0.0 109.504 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.11 158.09 76.48 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.935 0.894 . . . . 0.0 111.579 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.48 162.35 37.05 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.148 2.565 . . . . 0.0 112.357 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -66.05 -15.85 63.41 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.012 0.925 . . . . 0.0 112.198 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -18.46 65.32 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.889 1.276 . . . . 0.0 112.468 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.01 163.1 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.727 0.811 . . . . 0.0 110.974 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.52 161.94 14.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.506 171.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.09 126.61 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.355 0.662 . . . . 0.0 110.016 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -155.03 171.58 19.51 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.823 0.849 . . . . 0.0 110.562 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -73.29 161.85 30.03 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 167.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.52 -25.59 68.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.906 -0.496 . . . . 0.0 112.214 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.74 -43.41 80.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.417 1.087 . . . . 0.0 111.571 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -90.91 -29.82 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.419 0.688 . . . . 0.0 110.127 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -52.5 -29.52 25.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.737 0.815 . . . . 0.0 113.025 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.39 -21.83 64.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.558 1.143 . . . . 0.0 112.644 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . 0.438 ' O ' HD12 ' F' ' 55' ' ' LEU . 10.6 mpt_? -79.48 -22.58 43.86 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.831 2.053 . . . . 0.0 112.811 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -85.72 -63.06 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 O-C-N 121.131 -0.981 . . . . 0.0 111.868 -168.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . 0.437 ' NE2' ' H ' ' F' ' 52' ' ' GLN . 0.0 OUTLIER -80.73 3.05 23.56 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -168.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 3.95 2.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 172.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.9 36.98 3.53 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.392 0.996 . . . . 0.0 111.879 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.438 HD12 ' O ' ' F' ' 50' ' ' ARG . 23.4 mt -132.2 -55.78 0.97 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.254 0.622 . . . . 0.0 112.594 -166.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 58.43 5.3 0.42 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 126.658 1.983 . . . . 0.0 113.976 -169.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.74 130.68 6.79 Favored Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 124.034 0.933 . . . . 0.0 109.715 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.06 -42.57 65.17 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.245 2.63 . . . . 0.0 113.338 173.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 N--CA 1.453 -0.306 0 C-N-CA 123.561 0.744 . . . . 0.0 110.258 -168.881 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 110.888 -3.075 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.241 3.041 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 1 O4'-C1'-N19 112.794 4.594 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 O4'-C1'-N19 112.429 4.229 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.024 2.824 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-O4' 114.508 3.792 . 0.046 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 1 C5'-C4'-C3' 108.902 -4.399 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C3'-C2'-C1' 103.86 2.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.375 0 O5'-C5'-C4' 113.407 2.29 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 110.021 -3.652 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 O4'-C1'-N19 111.484 3.284 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C4'-C3' 108.154 1.896 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 C5'-C4'-C3' 108.309 -4.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C4'-C3'-C2' 100.28 -2.42 . 0.446 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.794 3.594 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 O4'-C1'-N19 110.948 2.748 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 116.318 8.118 . 0.498 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C4'-C3' 108.246 1.962 . 0.349 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 111.93 3.73 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.41 4.21 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 1 O4'-C1'-N19 112.305 4.105 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-O4' 113.346 2.961 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 O4'-C1'-N19 112.692 4.492 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 O4'-C1'-N19 112.246 4.046 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 N19-C1'-C2' 108.759 -2.901 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 111.498 3.298 . 0.585 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 111.976 -2.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C5'-C4'-C3' 112.455 -2.03 . 0.068 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 111.187 -2.875 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . 0.4 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 C5'-C4'-C3' 109.498 -4.002 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 P-O3'-C3' 125.304 4.67 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.383 3.183 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.522 4.322 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 99.208 -3.492 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C4'-C3'-C2' 99.461 -3.239 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 O4'-C1'-N19 111.646 3.446 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 110.864 -3.091 . 0.113 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 O4'-C1'-N19 110.766 2.566 . 0.01 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C3'-C2'-C1' 104.215 3.017 . 0.204 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 113.041 4.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 1 C5'-C4'-C3' 109.002 -4.332 . 0.034 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 O4'-C1'-N19 112.436 4.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 111.54 3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 112.017 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.243 4.043 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.4 -3.3 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 O4'-C1'-N19 111.464 3.264 . 0.247 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 1 C3'-C2'-C1' 105.478 4.421 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 110.95 2.75 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 111.193 2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 0 C5'-C4'-C3' 111.737 -2.509 . 0.453 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.42 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.394 1 O5'-C5'-C4' 117.605 5.29 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-C3' 112.284 -2.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.337 4.137 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C5'-C4'-C3' 111.911 -2.393 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.121 2.921 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 1 O4'-C1'-N19 112.733 4.533 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C5'-C4'-C3' 111.764 -2.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 112.124 3.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 111.396 3.196 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.4 3.2 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.444 3.244 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C3'-C2'-C1' 104.17 2.967 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.571 -3.129 . 0.071 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C3'-C2'-C1' 104.061 2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.384 0 C5'-C4'-C3' 110.997 -3.002 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.542 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.177 1 C3'-C2'-C1' 97.315 -4.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C4'-C3'-C2' 100.017 -2.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 111.56 -2.627 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 1 O4'-C1'-N19 112.281 4.081 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.095 2.895 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 113.463 5.263 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.082 -0.485 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.52 112.32 24.67 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.51 0.724 . . . . 0.0 109.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -96.63 135.15 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.828 0.851 . . . . 0.0 109.921 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.8 mt -132.26 156.45 46.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 109.609 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -117.86 100.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.91 138.85 49.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.845 0.858 . . . . 0.0 110.64 -168.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -103.13 157.05 17.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.627 0.371 . . . . 0.0 110.44 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.53 122.94 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.667 0.787 . . . . 0.0 110.894 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.27 -2.29 65.39 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.177 0.894 . . . . 0.0 113.989 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -98.4 165.17 11.97 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.494 1.147 . . . . 0.0 111.415 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -132.94 157.85 44.09 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mm -116.5 160.55 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.654 1.981 . . . . 0.0 108.491 170.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -131.48 137.82 48.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.528 1.131 . . . . 0.0 109.94 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -130.76 132.21 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.06 0.944 . . . . 0.0 109.225 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.04 -131.98 36.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -122.92 -0.65 8.98 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -131.99 -21.78 2.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mt -100.64 140.38 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 118.774 0.716 . . . . 0.0 110.704 -170.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -131.62 138.19 48.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.448 1.099 . . . . 0.0 109.402 172.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -119.77 139.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.326 1.05 . . . . 0.0 108.227 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.4 m -135.61 131.63 36.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.849 0.75 . . . . 0.0 110.061 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.98 97.26 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.85 -31.89 68.75 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.813 -0.554 . . . . 0.0 110.689 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.62 -177.2 44.56 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 113.795 0.278 . . . . 0.0 113.795 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.22 152.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -137.19 60.98 1.63 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.497 1.119 . . . . 0.0 109.612 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.29 -120.86 5.3 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -82.45 -11.85 58.24 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.557 0.743 . . . . 0.0 112.003 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -98.99 150.52 21.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.922 0.868 . . . . 0.0 112.167 171.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -127.31 138.59 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.745 2.018 . . . . 0.0 108.151 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttm105 -119.21 107.6 13.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.344 0.592 . . . . 0.0 110.698 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.7 mt -111.99 135.72 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.53 1.532 . . . . 0.0 109.269 -170.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.05 138.45 13.9 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 123.691 0.662 . . . . 0.0 111.558 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -111.75 131.48 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.16 1.384 . . . . 0.0 108.111 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -121.29 74.97 1.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.226 1.01 . . . . 0.0 109.23 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.75 155.2 40.24 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.665 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 154.26 59.94 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.394 2.062 . . . . 0.0 110.473 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -68.87 -4.34 16.0 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -68.7 -25.67 64.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.87 0.868 . . . . 0.0 112.032 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.35 143.96 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-O 121.935 0.874 . . . . 0.0 111.9 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.95 27.43 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.329 1.052 . . . . 0.0 110.749 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.98 129.56 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.913 0.485 . . . . 0.0 110.053 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -150.16 158.5 44.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.009 0.524 . . . . 0.0 111.715 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -69.63 160.7 31.08 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.154 0.582 . . . . 0.0 110.471 169.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.78 -38.78 89.31 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -78.52 1.55 22.04 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.0 -11.22 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.862 1.265 . . . . 0.0 111.034 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -79.49 -35.45 40.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 120.377 -1.452 . . . . 0.0 110.384 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.72 -9.93 59.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.197 0.599 . . . . 0.0 112.274 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -21.88 28.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.093 1.357 . . . . 0.0 110.96 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.66 HG22 HE21 ' A' ' 52' ' ' GLN . 72.8 mt -82.42 -48.03 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 125.324 1.45 . . . . 0.0 108.642 175.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.66 HE21 HG22 ' A' ' 51' ' ' ILE . 79.8 mm-40 -83.82 5.18 26.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.682 . . . . 0.0 112.799 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.582 0.753 . . . . 0.0 111.673 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.03 36.92 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 C-N-CA 123.007 0.337 . . . . 0.0 112.843 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 51' ' ' ILE . 7.3 mt -125.2 178.1 5.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.472 1.509 . . . . 0.0 108.198 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p 64.63 147.27 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.435 1.894 . . . . 0.0 114.055 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.99 154.49 48.4 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 123.958 0.903 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.29 164.08 33.5 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.409 2.739 . . . . 0.0 111.84 173.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.495 1.118 . . . . 0.0 111.377 173.603 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.669 -0.205 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -115.36 120.73 40.6 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.266 1.427 . . . . 0.0 107.228 169.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.412 HD11 " C4'" ' G' ' 52' ' ' ' A' . 64.5 mt -116.28 132.77 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 112.013 -165.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 80.4 mt -136.37 142.54 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.771 1.228 . . . . 0.0 110.662 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -107.88 128.89 55.02 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.293 0.637 . . . . 0.0 109.747 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -130.58 126.45 36.74 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.85 1.26 . . . . 0.0 110.604 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -75.25 153.05 38.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.631 167.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -57.19 125.75 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.503 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.69 -8.8 58.35 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 118.885 -0.953 . . . . 0.0 115.242 -173.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -87.71 169.7 11.88 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.318 1.559 . . . . 0.0 111.647 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -141.32 158.14 44.27 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -168.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -133.4 154.68 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 127.148 2.179 . . . . 0.0 108.642 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 144.3 50.87 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.522 1.129 . . . . 0.0 110.846 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -133.44 129.88 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.527 1.131 . . . . 0.0 109.417 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.85 51.59 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -124.6 4.97 8.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.849 0.86 . . . . 0.0 112.632 171.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.5 -21.79 10.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.51 138.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 118.982 0.81 . . . . 0.0 111.481 -169.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -134.47 149.04 50.68 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.96 1.304 . . . . 0.0 110.029 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mm -129.91 139.48 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.815 1.646 . . . . 0.0 108.449 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -135.91 129.13 31.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.256 0.623 . . . . 0.0 110.322 -177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.75 109.77 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 169.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.56 -33.08 54.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.022 -0.424 . . . . 0.0 110.816 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.08 178.3 35.85 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 122.563 0.125 . . . . 0.0 112.992 171.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -111.02 152.47 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.134 0.492 . . . . 0.0 110.78 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -133.39 78.14 1.76 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.629 1.172 . . . . 0.0 108.695 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -115.97 4.75 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.09 6.43 44.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.27 0.628 . . . . 0.0 110.878 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -99.01 151.32 21.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.206 1.002 . . . . 0.0 110.072 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.11 116.14 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.55 116.65 23.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.423 1.089 . . . . 0.0 109.514 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.44 131.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.397 1.079 . . . . 0.0 109.851 -169.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.48 139.33 14.48 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.16 131.2 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.849 0.833 . . . . 0.0 109.22 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.17 78.18 1.8 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.6 -167.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.08 157.04 65.2 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 109.287 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -58.72 154.54 42.66 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.724 1.616 . . . . 0.0 109.634 168.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -0.63 11.25 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.792 0.806 . . . . 0.0 110.908 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -26.19 67.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.267 1.827 . . . . 0.0 111.261 172.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -108.02 144.05 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.369 1.068 . . . . 0.0 109.966 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.11 141.57 29.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 111.374 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.18 97.54 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.322 -166.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.23 161.61 41.67 Favored 'General case' 0 N--CA 1.458 -0.045 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -69.45 161.08 30.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.011 0.924 . . . . 0.0 111.833 170.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.29 -46.37 69.31 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 123.617 0.767 . . . . 0.0 112.727 -172.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.93 -14.83 62.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.406 ' CG2' " H1'" ' G' ' 26' ' ' ' A' . 13.2 mm -93.34 -50.1 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.371 0.669 . . . . 0.0 110.495 170.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -47.49 -42.94 23.96 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 111.218 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.72 -15.3 62.68 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.794 1.238 . . . . 0.0 114.262 -169.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.548 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.0 mpt_? -89.06 -33.2 17.21 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 119.257 0.935 . . . . 0.0 112.033 172.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.87 -62.08 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.119 0.967 . . . . 0.0 112.565 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 2.38 2.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.652 -0.655 . . . . 0.0 112.552 174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.16 -20.18 60.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.332 0.653 . . . . 0.0 111.991 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.33 31.68 0.06 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.174 -0.792 . . . . 0.0 114.839 169.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -168.48 -172.98 1.82 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.448 1.124 . . . . 0.0 112.656 -167.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -133.96 -167.7 2.0 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.753 1.221 . . . . 0.0 109.569 168.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 126.4 4.48 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.729 0.812 . . . . 0.0 111.438 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.88 147.96 30.84 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.907 3.072 . . . . 0.0 114.01 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t0 . . . . . 0 N--CA 1.455 -0.202 0 C-N-CA 125.216 1.406 . . . . 0.0 112.881 173.031 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpp . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.31 106.55 14.46 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 167.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.49 134.71 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 123.72 0.808 . . . . 0.0 109.23 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -128.7 134.94 48.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.269 0.628 . . . . 0.0 109.497 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -99.43 134.18 42.67 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.164 0.985 . . . . 0.0 110.367 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.497 HH11 HD12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -146.03 160.99 41.11 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.544 167.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -85.09 160.22 20.02 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.49 1.116 . . . . 0.0 109.428 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.72 138.91 19.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 O-C-N 121.708 -0.62 . . . . 0.0 111.63 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.58 83.53 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.673 1.13 . . . . 0.0 114.467 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.69 -175.95 4.82 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.429 1.615 . . . . 0.0 112.922 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.55 151.41 47.29 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 124.561 1.144 . . . . 0.0 113.141 -166.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.7 mt -142.82 150.85 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.883 1.673 . . . . 0.0 108.855 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.52 147.55 45.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.543 1.137 . . . . 0.0 111.923 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -132.72 129.38 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.44 1.096 . . . . 0.0 108.706 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.65 -139.55 42.28 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.01 10.01 10.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.077 0.951 . . . . 0.0 111.915 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -116.77 -19.4 9.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.254 1.021 . . . . 0.0 113.026 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.01 139.67 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.798 0.726 . . . . 0.0 111.126 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -129.44 141.85 50.93 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.487 1.115 . . . . 0.0 109.566 172.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.94 135.31 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.925 1.29 . . . . 0.0 108.384 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -122.58 141.73 51.38 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.875 0.87 . . . . 0.0 110.054 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 tp -101.95 116.16 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.6 HD13 " H1'" ' G' ' 67' ' ' ' C' . 4.1 mt -89.74 -39.33 13.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -175.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.31 -177.75 42.24 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.594 -0.336 . . . . 0.0 113.749 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.01 148.58 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.315 0.646 . . . . 0.0 110.906 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -147.26 112.58 5.55 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.964 1.306 . . . . 0.0 108.114 170.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.47 -142.02 29.56 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.441 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.86 5.27 29.51 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.365 0.666 . . . . 0.0 110.952 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.97 144.78 25.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.934 1.694 . . . . 0.0 110.715 -174.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.14 119.91 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -81.88 115.47 21.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.484 0.584 . . . . 0.0 109.523 169.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -116.99 127.01 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.272 1.429 . . . . 0.0 109.509 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.35 141.21 17.3 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.074 1.321 . . . . 0.0 111.86 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.61 132.16 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -132.91 92.04 2.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.334 0.653 . . . . 0.0 109.482 -173.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.22 154.7 80.17 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.031 0.932 . . . . 0.0 110.033 -177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.02 151.48 81.3 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.438 2.092 . . . . 0.0 110.895 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.33 -1.06 3.02 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.43 0.692 . . . . 0.0 112.446 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -23.64 66.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.473 1.109 . . . . 0.0 111.426 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.61 147.5 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.081 0.953 . . . . 0.0 110.544 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.07 155.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.187 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.0 130.27 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 169.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -153.94 162.19 41.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.038 0.535 . . . . 0.0 111.691 -177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -81.42 160.37 24.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 166.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.89 -36.3 76.66 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -168.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.36 -21.27 62.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -93.99 -36.11 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 123.406 0.683 . . . . 0.0 110.636 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -51.68 -36.32 46.07 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.153 0.981 . . . . 0.0 112.492 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.93 -30.24 67.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.744 0.818 . . . . 0.0 112.481 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -67.87 -38.06 82.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.542 0.737 . . . . 0.0 111.77 174.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.0 mp -69.13 -19.58 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -95.06 1.59 55.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.978 0.911 . . . . 0.0 112.68 173.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.35 -2.05 58.38 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.792 0.837 . . . . 0.0 113.226 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.18 5.15 60.86 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.414 -0.659 . . . . 0.0 113.054 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 59.89 -172.23 0.12 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.704 1.601 . . . . 0.0 112.262 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.2 t -78.76 149.04 32.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.953 -0.467 . . . . 0.0 110.973 170.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.57 71.36 1.48 Allowed Pre-proline 0 N--CA 1.455 -0.202 0 C-N-CA 125.259 1.424 . . . . 0.0 113.409 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.66 147.48 91.78 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.022 2.481 . . . . 0.0 112.534 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 CA--C 1.528 0.119 0 C-N-CA 126.595 1.958 . . . . 0.0 116.037 168.533 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.75 107.28 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.79 140.3 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.383 1.073 . . . . 0.0 108.898 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.8 mt -130.77 158.91 38.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 110.858 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 109.87 21.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 165.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -111.4 130.87 55.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.521 0.329 . . . . 0.0 110.6 -177.324 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -77.04 153.35 34.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.283 170.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -57.95 136.54 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -3.82 85.89 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.004 -0.886 . . . . 0.0 114.205 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.47 168.49 12.15 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.951 1.376 . . . . 0.0 111.836 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -126.79 155.59 42.58 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 112.818 -169.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.3 mt -140.14 161.08 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 126.961 2.104 . . . . 0.0 108.472 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -141.5 151.31 43.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.154 0.981 . . . . 0.0 111.955 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -134.86 138.27 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 109.087 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -135.39 52.02 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -124.45 8.95 8.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.054 0.942 . . . . 0.0 111.807 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.67 -11.27 2.72 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.57 137.23 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 118.736 0.698 . . . . 0.0 110.582 -171.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -121.01 149.25 42.96 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.56 1.144 . . . . 0.0 109.719 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -132.36 145.55 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.886 1.675 . . . . 0.0 107.498 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -143.54 129.41 19.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.627 -0.671 . . . . 0.0 109.965 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . 0.4 HG22 ' H ' ' D' ' 22' ' ' ILE . 2.2 tp -84.86 96.91 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 173.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.44 -28.52 62.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.97 -0.456 . . . . 0.0 110.82 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.48 40.04 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.106 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -108.03 158.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.833 0.853 . . . . 0.0 110.401 169.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.9 t -145.24 76.72 1.49 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 109.645 171.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.85 -113.36 3.66 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.446 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 8.9 mp0 -99.69 -0.27 40.48 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.473 0.709 . . . . 0.0 110.656 171.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -78.74 160.05 27.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 111.817 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -134.04 124.77 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.62 169.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -84.54 115.35 22.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.051 0.94 . . . . 0.0 108.845 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.497 HD12 HH11 ' C' ' 6' ' ' ARG . 1.8 mt -121.19 119.87 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 O-C-N 123.71 0.631 . . . . 0.0 109.315 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.7 132.12 11.12 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mt -121.68 135.94 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -138.04 89.86 2.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.232 0.539 . . . . 0.0 109.799 -169.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.36 158.54 61.0 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 124.749 1.22 . . . . 0.0 109.7 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -62.14 151.16 83.59 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.876 1.717 . . . . 0.0 110.205 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -65.16 -0.74 1.81 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.308 0.643 . . . . 0.0 112.459 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -66.0 -24.82 66.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.066 1.346 . . . . 0.0 111.433 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.79 159.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.546 1.138 . . . . 0.0 110.934 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 157.04 16.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.14 123.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 122.891 0.477 . . . . 0.0 110.473 168.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -149.62 155.82 40.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.897 0.879 . . . . 0.0 110.965 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -69.36 160.01 32.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.031 -0.418 . . . . 0.0 110.608 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.19 -32.52 71.16 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.61 0.764 . . . . 0.0 112.056 -170.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.67 -43.49 72.48 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 124.488 1.115 . . . . 0.0 112.137 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -88.74 -37.13 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.514 1.126 . . . . 0.0 110.649 -170.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -50.44 -41.3 52.44 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 170.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -67.71 -25.6 65.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 3.3 mtt85 -76.42 -35.2 58.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 119.268 0.94 . . . . 0.0 111.164 171.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -77.49 -39.41 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -78.16 0.22 25.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.816 0.846 . . . . 0.0 111.051 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -70.0 -18.27 63.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.629 0.772 . . . . 0.0 111.473 169.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.57 36.52 0.23 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.907 -0.941 . . . . 0.0 114.441 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.8 -173.76 4.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.897 1.348 . . . . 0.0 114.079 -168.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 23.6 m -132.07 153.91 49.96 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 126.54 1.936 . . . . 0.0 106.758 166.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.77 125.73 8.2 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 118.589 0.631 . . . . 0.0 112.075 -169.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.06 165.02 13.05 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.262 1.975 . . . . 0.0 114.896 -170.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.925 -172.556 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -106.63 119.33 39.01 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.317 0.647 . . . . 0.0 110.895 -167.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.26 137.78 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.143 0.977 . . . . 0.0 109.192 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.66 164.16 26.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 110.898 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 105.59 8.0 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 166.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -112.4 128.98 56.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.432 1.493 . . . . 0.0 109.863 -171.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -93.05 165.15 12.99 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.719 1.145 . . . . 0.0 112.575 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -59.79 137.9 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.45 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.53 -3.65 83.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.06 0.838 . . . . 0.0 114.114 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -97.0 172.64 7.72 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.673 1.236 . . . . 0.0 111.341 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -132.72 158.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -169.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.83 157.19 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 127.147 2.179 . . . . 0.0 108.144 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -135.86 149.07 48.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.581 -0.7 . . . . 0.0 112.827 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mt -136.45 134.23 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.716 1.206 . . . . 0.0 109.021 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.23 -138.64 48.64 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -125.39 9.95 7.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.946 0.898 . . . . 0.0 112.517 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -126.08 -14.5 6.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.12 135.56 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 119.215 0.916 . . . . 0.0 111.165 -170.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -125.94 143.31 51.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.651 1.181 . . . . 0.0 109.823 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -123.7 141.04 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.194 1.398 . . . . 0.0 108.117 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -136.78 126.09 24.86 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.925 0.49 . . . . 0.0 109.952 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -79.82 102.62 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.03 -29.79 63.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.097 -0.377 . . . . 0.0 110.927 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.06 -173.65 34.66 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 123.379 0.514 . . . . 0.0 113.537 170.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.72 159.91 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 124.033 0.933 . . . . 0.0 111.861 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.94 93.77 2.07 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.528 1.131 . . . . 0.0 109.084 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.45 -112.91 4.97 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.25 -22.33 19.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 117.519 0.659 . . . . 0.0 111.564 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.01 140.36 52.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.341 0.591 . . . . 0.0 109.932 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.23 115.48 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -91.56 122.79 34.45 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.315 0.646 . . . . 0.0 109.539 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.01 131.59 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.351 0.66 . . . . 0.0 110.717 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.84 140.2 14.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.517 1.056 . . . . 0.0 111.276 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -131.42 125.92 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.715 1.206 . . . . 0.0 108.891 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -126.38 98.99 5.65 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.42 154.78 73.87 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.0 110.569 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.58 158.63 40.48 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.016 2.477 . . . . 0.0 112.08 172.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -72.11 -0.99 13.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 171.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.95 -22.59 66.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.412 1.085 . . . . 0.0 111.484 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.25 157.23 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.277 1.031 . . . . 0.0 110.435 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.58 160.22 14.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.98 127.98 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.105 0.562 . . . . 0.0 110.406 170.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -151.59 169.05 23.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.662 0.785 . . . . 0.0 111.119 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.0 155.82 39.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.53 -31.06 69.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.204 0.457 . . . . 0.0 111.76 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.76 -41.53 70.56 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.644 1.178 . . . . 0.0 112.229 172.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -89.89 -34.65 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.424 1.09 . . . . 0.0 109.737 -172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -51.98 -32.04 31.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.078 1.351 . . . . 0.0 112.987 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.66 -22.0 61.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.442 1.097 . . . . 0.0 112.672 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -78.95 -22.63 45.44 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 126.642 1.977 . . . . 0.0 112.703 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.73 -63.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.295 1.038 . . . . 0.0 112.015 -168.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' E' ' 52' ' ' GLN . 0.0 OUTLIER -85.05 3.18 39.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 -167.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.21 4.0 2.49 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 173.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.77 28.02 6.44 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.466 1.032 . . . . 0.0 112.152 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.39 2.09 11.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -166.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 21.8 p -64.79 -23.74 67.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.856 0.463 . . . . 0.0 111.7 170.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.35 135.22 19.51 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 124.101 0.96 . . . . 0.0 109.483 168.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.72 158.93 15.16 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.625 2.883 . . . . 0.0 113.891 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t0 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 125.197 1.399 . . . . 0.0 112.863 169.462 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.178 0.066 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.18 150.0 20.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.18 -0.325 . . . . 0.0 111.442 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.26 130.9 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 169.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.8 mt -127.3 156.36 42.06 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.726 1.21 . . . . 0.0 109.293 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -130.48 98.53 4.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 168.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 162.01 18.51 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 122.83 0.452 . . . . 0.0 110.723 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -106.36 175.27 5.56 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 122.934 0.494 . . . . 0.0 111.318 -172.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.76 137.76 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.02 84.33 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.106 0.86 . . . . 0.0 115.051 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -85.41 170.92 12.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 119.066 1.433 . . . . 0.0 112.293 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -133.0 150.06 52.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.872 0.869 . . . . 0.0 112.078 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -134.62 158.03 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 126.269 1.828 . . . . 0.0 107.746 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -133.57 149.52 51.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.43 0.692 . . . . 0.0 112.241 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.64 140.31 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.637 1.175 . . . . 0.0 109.028 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.57 -134.76 51.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.92 10.15 6.98 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -131.39 -21.21 2.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -100.91 138.6 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 119.385 0.993 . . . . 0.0 111.25 -169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -129.27 143.97 51.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.631 1.172 . . . . 0.0 110.628 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -125.04 129.28 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.3 1.44 . . . . 0.0 108.966 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -127.94 126.78 42.1 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.354 0.662 . . . . 0.0 110.384 -175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -85.82 111.88 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.38 -34.02 42.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.847 0.459 . . . . 0.0 110.268 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.56 -174.32 36.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.958 0.313 . . . . 0.0 113.465 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.9 160.37 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.738 0.815 . . . . 0.0 112.004 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -149.34 91.3 1.81 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.426 1.09 . . . . 0.0 109.218 169.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.78 -102.99 1.2 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -99.43 -18.26 17.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.394 0.597 . . . . 0.0 112.212 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.9 144.63 41.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.045 0.538 . . . . 0.0 110.535 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.03 111.19 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.33 120.54 30.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.235 0.614 . . . . 0.0 109.659 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.08 134.53 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.242 1.017 . . . . 0.0 110.146 -169.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.53 144.88 16.04 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.037 0.827 . . . . 0.0 111.369 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 64.0 mt -134.46 125.1 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.839 0.856 . . . . 0.0 109.279 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -118.18 103.88 10.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.066 0.946 . . . . 0.0 108.957 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.89 76.92 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.954 0.902 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.93 160.52 40.85 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.781 2.321 . . . . 0.0 112.263 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -64.74 -11.6 38.12 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.33 -14.48 61.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.804 1.242 . . . . 0.0 112.482 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -126.31 163.82 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.911 0.884 . . . . 0.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.94 162.97 13.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.364 0.666 . . . . 0.0 111.499 171.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.1 119.99 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.401 0.68 . . . . 0.0 110.153 172.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -152.26 173.28 15.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.779 0.832 . . . . 0.0 110.603 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.37 160.88 31.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.12 -22.3 66.88 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.47 -43.5 93.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.421 1.088 . . . . 0.0 111.731 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -87.44 -30.73 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.08 0.552 . . . . 0.0 109.873 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.534 ' HA ' HG12 ' F' ' 51' ' ' ILE . 71.5 t80 -50.65 -35.77 32.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 0.0 112.8 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.75 -26.12 66.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.424 0.69 . . . . 0.0 112.051 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -80.85 -41.31 23.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.192 0.597 . . . . 0.0 110.093 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.534 HG12 ' HA ' ' F' ' 48' ' ' TYR . 8.1 mm -51.48 -37.12 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 124.641 1.176 . . . . 0.0 111.416 174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -85.39 -37.43 19.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.87 -23.94 11.5 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -167.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.32 -26.05 0.5 Allowed Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.4 1.0 . . . . 0.0 113.69 -170.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.531 ' N ' HD13 ' F' ' 55' ' ' LEU . 0.0 OUTLIER 63.39 172.79 0.16 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 128.021 2.528 . . . . 0.0 113.158 173.046 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.4 p -95.74 -4.91 43.2 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.99 134.14 18.94 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.128 0.971 . . . . 0.0 110.02 171.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -64.28 177.58 1.99 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.033 2.489 . . . . 0.0 113.926 173.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 N--CA 1.453 -0.322 0 C-N-CA 124.308 1.043 . . . . 0.0 112.074 175.335 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.321 0 O4'-C1'-N19 111.18 2.98 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 111.346 3.146 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.345 4.145 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.7 3.5 . 0.166 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-O4' 114.093 3.495 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.933 3.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C3'-C2'-C1' 103.826 2.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 O5'-C5'-C4' 113.226 2.161 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 110.136 -3.576 . 0.137 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 O4'-C1'-N19 111.061 2.861 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.436 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 111.73 -2.513 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 111.051 -2.966 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 100.15 -2.55 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.751 3.551 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 O4'-C1'-N19 110.571 2.371 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C5'-C4'-C3' 110.488 -3.341 . 0.662 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 111.684 -2.544 . 0.296 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 2 O4'-C1'-N19 113.682 5.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 O4'-C1'-N19 112.497 4.297 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 O4'-C1'-N19 112.394 4.194 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C5'-C4'-O4' 112.682 2.487 . 0.384 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 112.459 4.259 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 112.119 3.919 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 N19-C1'-C2' 109.274 -2.579 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . 0.406 " H1'" ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.223 3.023 . 0.527 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C5'-C4'-C3' 111.509 -2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 0 C5'-C4'-C3' 111.453 -2.698 . 0.084 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 C5'-C4'-C3' 111.439 -2.707 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 C5'-C4'-C3' 109.171 -4.22 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 P-O3'-C3' 125.498 4.832 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 O4'-C1'-N19 111.065 2.865 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.451 4.251 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.205 -3.495 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 99.385 -3.315 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.089 3.889 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 1 O4'-C1'-N19 115.699 7.499 . 0.382 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 C5'-C4'-C3' 109.644 -3.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C3'-C2'-C1' 103.803 2.559 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 113.069 4.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.441 1 C5'-C4'-C3' 109.061 -4.292 . 0.053 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O4'-C1'-N19 112.183 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 112.168 3.968 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C4'-C3'-C2' 99.334 -3.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 2 C4'-C3'-C2' 98.531 -4.169 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.275 3.075 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.317 4.117 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C3'-C2'-C1' 104.935 3.817 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.751 -2.949 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 C5'-C4'-C3' 111.658 -2.561 . 0.446 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.412 " C4'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 O5'-C5'-C4' 117.483 5.202 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 112.185 -2.21 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 112.192 3.992 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 100.127 -2.573 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 110.869 2.669 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.911 4.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 O4'-C4'-C3' 109.098 2.57 . 0.235 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.124 3.924 . 0.0 OUTLIER '7D dist 2h' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 O4'-C1'-N19 111.073 2.873 . 0.269 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 O4'-C1'-N19 111.18 2.98 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 1 C3'-C2'-C1' 105.216 4.129 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-O4' 114.001 3.429 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 P-O3'-C3' 123.316 3.014 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C3'-C2'-C1' 103.816 2.574 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C5'-C4'-C3' 111.143 -2.905 . 0.149 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.6 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.24 2 C3'-C2'-C1' 96.848 -5.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 C5'-C4'-C3' 109.132 -4.246 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 N19-C1'-C2' 109.163 -2.648 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 O4'-C1'-N19 112.283 4.083 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 O4'-C1'-N19 111.269 3.069 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 110.457 -3.362 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 118.964 -0.541 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.99 113.65 25.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.344 0.658 . . . . 0.0 109.919 -174.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -98.74 134.79 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -131.36 152.5 50.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.75 0.82 . . . . 0.0 109.937 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.5 m -128.05 100.95 6.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.797 0.839 . . . . 0.0 109.536 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -129.12 152.34 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.936 0.494 . . . . 0.0 111.08 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 162.56 13.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.631 0.773 . . . . 0.0 111.475 -177.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 ' HA2' ' A' ' 24' ' ' GLY . 56.0 t -43.3 129.88 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.318 1.047 . . . . 0.0 111.373 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.53 -6.04 70.74 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.294 0.949 . . . . 0.0 113.989 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -93.59 170.83 9.3 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.621 1.21 . . . . 0.0 112.177 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -139.27 154.84 48.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.0 mm -123.06 158.03 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 126.577 1.951 . . . . 0.0 109.715 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -128.04 139.71 52.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.303 1.041 . . . . 0.0 111.217 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -134.42 135.62 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.43 1.092 . . . . 0.0 109.425 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.63 -129.99 25.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.34 -0.6 6.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.0 0.92 . . . . 0.0 112.224 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -137.04 -15.43 1.51 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -169.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.41 137.55 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.394 0.678 . . . . 0.0 110.968 -168.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -138.94 127.84 23.62 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.319 0.647 . . . . 0.0 110.315 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -108.8 145.51 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.413 1.085 . . . . 0.0 108.998 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.7 m -138.4 135.01 34.86 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.208 0.603 . . . . 0.0 110.278 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -86.25 95.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 169.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.01 -26.83 65.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 O-C-N 121.983 -0.448 . . . . 0.0 110.316 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.45 -167.94 41.03 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 117.764 0.256 . . . . 0.0 113.607 169.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.85 146.1 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.779 0.832 . . . . 0.0 110.605 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.3 m -136.41 64.4 1.55 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.877 1.271 . . . . 0.0 109.814 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.12 -120.38 7.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.94 -4.33 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.442 0.697 . . . . 0.0 111.921 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -98.96 159.18 15.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.623 0.725 . . . . 0.0 111.69 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.6 t -136.07 133.72 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 125.227 1.411 . . . . 0.0 108.755 -170.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -102.09 101.84 12.24 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.666 0.786 . . . . 0.0 109.194 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.84 134.11 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.376 1.07 . . . . 0.0 109.887 -173.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.57 144.61 17.64 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 123.902 0.763 . . . . 0.0 111.997 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.26 130.7 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.414 1.486 . . . . 0.0 108.536 -176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -116.97 74.93 0.94 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.687 0.795 . . . . 0.0 109.613 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.82 153.26 39.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.233 0.613 . . . . 0.0 110.994 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.29 155.04 51.56 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.62 2.213 . . . . 0.0 110.247 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -67.87 -4.3 12.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -71.03 -20.22 62.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 112.17 170.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -119.14 144.07 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.946 0.879 . . . . 0.0 111.549 170.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.79 143.06 36.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.774 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.74 126.95 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-N 118.399 0.545 . . . . 0.0 110.404 170.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 99.2 m-70 -153.51 -175.99 5.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.963 0.905 . . . . 0.0 110.458 -169.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 172.59 12.09 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 170.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.92 -36.59 74.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.773 1.229 . . . . 0.0 113.583 -166.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.53 -12.69 58.86 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.57 -28.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.607 1.163 . . . . 0.0 111.235 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -62.2 -31.42 71.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.546 -0.721 . . . . 0.0 110.847 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.38 -20.55 60.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.989 0.915 . . . . 0.0 111.741 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.36 -30.75 53.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.14 0.976 . . . . 0.0 111.389 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.446 HG22 HE21 ' A' ' 52' ' ' GLN . 79.6 mt -70.72 -52.83 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.919 0.888 . . . . 0.0 109.75 177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.446 HE21 HG22 ' A' ' 51' ' ' ILE . 84.8 mm-40 -76.87 5.22 8.22 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.8 0.84 . . . . 0.0 111.445 -174.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.52 66.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.042 0.537 . . . . 0.0 112.01 168.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.42 21.04 0.96 Allowed Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.794 0.712 . . . . 0.0 113.592 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -128.49 170.45 13.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.324 1.049 . . . . 0.0 111.81 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p -144.61 150.28 37.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.139 0.975 . . . . 0.0 110.927 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.52 152.33 45.12 Favored Pre-proline 0 N--CA 1.454 -0.243 0 C-N-CA 123.482 0.713 . . . . 0.0 111.703 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.26 -175.93 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.034 2.489 . . . . 0.0 112.803 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.9 t0 . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 125.088 1.355 . . . . 0.0 110.327 -176.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -114.82 124.77 52.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -119.1 139.41 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -165.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -134.42 143.56 47.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.024 1.33 . . . . 0.0 110.766 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.415 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 13.4 m -119.39 105.6 11.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -130.91 155.7 46.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.534 0.734 . . . . 0.0 110.34 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -90.69 164.76 14.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.18 131.14 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-O 121.238 0.542 . . . . 0.0 110.315 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.21 -5.26 62.98 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.121 -0.822 . . . . 0.0 114.822 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.71 158.89 20.64 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.119 1.46 . . . . 0.0 112.752 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -121.2 146.13 47.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.488 1.115 . . . . 0.0 111.772 -171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.97 152.81 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.877 1.671 . . . . 0.0 108.664 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -137.25 143.14 42.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.574 -0.704 . . . . 0.0 112.732 -169.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -136.78 132.65 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.468 1.107 . . . . 0.0 109.853 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -139.88 47.88 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.664 0.65 . . . . 0.0 111.513 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.85 0.99 12.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.893 0.877 . . . . 0.0 111.852 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -120.87 -16.57 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.75 0.82 . . . . 0.0 113.184 -169.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.59 135.86 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.716 0.769 . . . . 0.0 110.904 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 147.89 50.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.522 1.129 . . . . 0.0 109.535 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 27.0 mm -127.92 144.01 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.876 1.671 . . . . 0.0 107.788 -177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -140.29 128.59 22.53 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -80.44 110.19 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -81.97 -29.36 32.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.977 -0.452 . . . . 0.0 110.912 -177.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -178.94 34.14 Favored Glycine 0 C--N 1.335 0.482 0 CA-C-O 120.9 0.166 . . . . 0.0 112.724 170.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -108.97 152.38 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.265 0.555 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -135.47 76.27 1.61 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.594 1.158 . . . . 0.0 108.37 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -114.45 4.02 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.413 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -109.87 15.5 22.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.177 0.489 . . . . 0.0 111.337 169.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -98.91 158.26 15.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.462 1.105 . . . . 0.0 109.544 169.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.76 116.58 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -169.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -84.45 116.28 23.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.239 1.416 . . . . 0.0 109.206 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -128.54 130.64 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.889 0.876 . . . . 0.0 110.034 -171.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.93 140.13 14.87 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 123.593 0.616 . . . . 0.0 111.85 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.8 mt -123.78 130.59 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.155 0.982 . . . . 0.0 108.896 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -132.53 79.34 1.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.649 -168.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.65 158.49 64.79 Favored Pre-proline 0 N--CA 1.45 -0.45 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.812 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.3 156.47 40.44 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.09 1.86 . . . . 0.0 111.166 169.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -67.63 -0.7 4.17 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.572 0.749 . . . . 0.0 112.3 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.86 -27.55 68.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.372 1.469 . . . . 0.0 111.317 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -109.47 144.15 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.629 1.172 . . . . 0.0 110.11 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 141.41 29.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 170.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t -144.29 97.39 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.856 -167.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.535 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.2 OUTLIER -144.78 163.97 32.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 C-N-CA 123.941 0.896 . . . . 0.0 110.293 177.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 16.4 ptt180 -66.98 157.6 32.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.111 -0.368 . . . . 0.0 111.78 170.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -53.05 -38.68 62.67 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.751 0.82 . . . . 0.0 112.012 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.22 -52.62 20.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.753 0.821 . . . . 0.0 111.57 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -73.88 -43.9 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.264 1.026 . . . . 0.0 110.864 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -50.79 -37.31 41.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.315 1.046 . . . . 0.0 112.0 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.02 -26.69 66.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.4 mpt_? -79.06 -39.1 34.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.94 0.791 . . . . 0.0 110.326 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.509 HG22 ' NE2' ' B' ' 52' ' ' GLN . 95.1 mt -64.59 -41.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -176.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.509 ' NE2' HG22 ' B' ' 51' ' ' ILE . 33.6 mm-40 -78.89 5.03 12.46 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.39 -18.12 49.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.852 0.461 . . . . 0.0 111.612 169.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.65 46.33 0.09 OUTLIER Glycine 0 C--N 1.338 0.659 0 CA-C-O 119.449 -0.64 . . . . 0.0 114.345 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.03 -176.46 2.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.914 0.857 . . . . 0.0 112.815 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -125.92 178.3 5.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.277 1.431 . . . . 0.0 109.577 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 120.79 1.86 Allowed Pre-proline 0 N--CA 1.454 -0.239 0 C-N-CA 124.35 1.06 . . . . 0.0 111.797 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -56.33 129.48 35.0 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 123.091 2.527 . . . . 0.0 112.722 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 CA--C 1.529 0.139 0 C-N-CA 126.513 1.925 . . . . 0.0 114.827 172.431 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.15 108.73 19.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 168.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.0 134.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.689 0.795 . . . . 0.0 109.412 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -128.98 135.01 48.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.144 0.978 . . . . 0.0 109.808 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -93.93 143.8 26.02 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.974 0.51 . . . . 0.0 110.649 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -146.06 124.03 12.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.525 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 7.3 tptm -76.51 151.81 36.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.85 137.89 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 O-C-N 121.77 -0.581 . . . . 0.0 112.127 -174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.75 -2.97 84.85 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.654 1.121 . . . . 0.0 114.129 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -93.06 174.86 7.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.082 1.441 . . . . 0.0 112.082 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -131.62 161.24 33.16 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mt -141.68 158.56 21.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 128.255 2.622 . . . . 0.0 107.749 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.94 150.55 51.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.238 -0.914 . . . . 0.0 112.243 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -132.21 133.84 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.507 1.123 . . . . 0.0 108.81 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.39 -140.63 45.09 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.688 0.661 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -116.06 4.27 13.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.751 1.221 . . . . 0.0 111.163 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -125.23 -14.46 6.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -169.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.98 139.36 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 118.873 0.76 . . . . 0.0 111.115 -169.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 50.1 m -122.33 142.79 50.13 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.605 1.162 . . . . 0.0 109.551 171.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 mm -122.97 139.16 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.027 1.331 . . . . 0.0 108.071 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -138.37 133.04 32.4 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.797 -0.564 . . . . 0.0 110.484 -174.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -90.2 117.46 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.443 HD13 " H1'" ' G' ' 67' ' ' ' C' . 5.2 mt -91.38 -37.86 12.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.097 -0.377 . . . . 0.0 110.198 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.41 -171.8 44.19 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.908 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.76 154.58 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.283 0.633 . . . . 0.0 111.615 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -146.73 110.46 4.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.833 1.253 . . . . 0.0 109.131 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -118.39 8.79 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -98.7 -7.71 27.34 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.5 ' HG3' ' CG ' ' D' ' 7' ' ' LYS . 7.0 mt-30 -77.08 149.8 35.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.738 0.78 . . . . 0.0 110.924 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' D' ' 30' ' ' VAL . 39.6 t -133.44 115.67 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -78.12 105.01 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -108.76 135.73 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 125.433 1.493 . . . . 0.0 108.932 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.98 137.21 14.05 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.65 1.119 . . . . 0.0 112.119 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.25 113.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 125.021 1.328 . . . . 0.0 107.887 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -122.26 89.98 3.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.687 -168.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.14 158.82 69.85 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.696 1.198 . . . . 0.0 110.142 -176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.51 150.96 82.96 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.394 2.063 . . . . 0.0 110.806 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.25 -0.9 1.96 Allowed 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.662 0.785 . . . . 0.0 112.64 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.88 -22.19 66.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.374 1.069 . . . . 0.0 111.336 169.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -122.77 145.89 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.181 0.993 . . . . 0.0 110.316 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.69 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.611 0.365 . . . . 0.0 111.157 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -137.11 133.51 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -152.4 168.03 26.78 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.572 0.749 . . . . 0.0 110.555 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' D' ' 12' ' ' ILE . 27.2 ptt-85 -88.52 157.16 18.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 166.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -58.3 -35.78 72.35 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.241 0.616 . . . . 0.0 112.555 -168.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.2 -19.9 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.517 1.127 . . . . 0.0 113.497 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.41 -36.5 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.869 0.867 . . . . 0.0 110.815 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -51.59 -35.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.592 1.157 . . . . 0.0 112.686 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.16 -29.89 67.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.706 0.802 . . . . 0.0 112.582 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.58 -37.94 83.34 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.498 0.719 . . . . 0.0 111.735 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp -69.51 -19.12 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 O-C-N 122.075 -0.391 . . . . 0.0 109.992 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -95.39 0.42 53.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.793 0.837 . . . . 0.0 112.611 173.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.89 -6.01 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.783 0.833 . . . . 0.0 113.003 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.04 -131.66 2.38 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -175.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 mt 67.38 172.34 0.26 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.432 1.493 . . . . 0.0 111.965 172.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 42.8 p 50.69 13.73 0.15 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 126.98 2.112 . . . . 0.0 115.268 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.43 85.76 4.47 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.141 1.376 . . . . 0.0 108.995 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -67.21 174.67 6.71 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.95 2.433 . . . . 0.0 113.24 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.455 -0.205 0 C-N-CA 124.011 0.924 . . . . 0.0 112.586 178.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.404 ' HE2' ' C6 ' ' G' ' 67' ' ' ' C' . 6.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -118.28 122.8 43.82 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.856 1.662 . . . . 0.0 108.982 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.61 135.44 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 109.913 -168.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.05 161.29 37.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.046 1.338 . . . . 0.0 111.51 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -105.62 116.98 32.86 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.27 133.73 53.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.564 0.746 . . . . 0.0 109.638 170.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' HG3' ' C' ' 29' ' ' GLN . 54.0 mttt -86.79 159.18 19.2 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 118.479 0.581 . . . . 0.0 111.356 172.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.35 137.35 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.2 0.524 . . . . 0.0 111.833 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.31 83.74 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.373 0.987 . . . . 0.0 114.109 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -94.69 175.62 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.879 1.34 . . . . 0.0 112.264 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.4 m -132.73 157.38 45.05 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 39.7 mt -137.73 161.56 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.705 2.402 . . . . 0.0 108.892 -177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.45 150.89 45.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.137 0.975 . . . . 0.0 112.419 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -135.85 139.26 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.815 1.246 . . . . 0.0 109.11 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.58 -136.52 51.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -123.61 9.91 9.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.196 0.998 . . . . 0.0 111.68 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -133.41 -13.23 2.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.72 137.58 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.678 0.672 . . . . 0.0 110.658 -172.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 43.5 m -122.87 149.85 43.66 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.411 1.084 . . . . 0.0 109.945 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -131.57 144.67 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 125.969 1.707 . . . . 0.0 107.701 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.97 130.16 26.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.17 100.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 171.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -75.45 -31.46 60.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.841 0.456 . . . . 0.0 110.712 -171.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.25 -175.73 41.67 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 121.971 -0.156 . . . . 0.0 113.237 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.6 m -107.9 156.47 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.654 0.781 . . . . 0.0 109.938 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -140.35 75.88 1.53 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.528 0.731 . . . . 0.0 109.372 169.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.41 -113.41 3.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.466 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.3 mp0 -95.55 -3.72 46.0 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.619 0.767 . . . . 0.0 110.395 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.14 155.92 31.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.579 0.704 . . . . 0.0 111.596 169.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.469 HG11 HG11 ' C' ' 30' ' ' VAL . 41.2 t -129.66 123.39 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.4 1.48 . . . . 0.0 107.124 168.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -94.49 111.3 23.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.1 124.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.529 0.731 . . . . 0.0 110.092 -169.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.29 139.23 14.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 71.4 mt -129.7 136.43 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -138.08 89.92 2.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.898 -0.501 . . . . 0.0 109.753 -171.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.88 155.63 60.28 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 124.501 1.12 . . . . 0.0 109.839 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.17 150.5 86.55 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.066 1.844 . . . . 0.0 110.488 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -68.87 -1.06 6.34 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.8 -23.31 66.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.831 1.252 . . . . 0.0 111.515 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.02 159.99 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.271 1.029 . . . . 0.0 110.629 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.87 157.06 17.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.069 0.548 . . . . 0.0 112.117 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 125.24 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.068 0 O-C-N 121.953 -0.467 . . . . 0.0 110.67 169.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -148.22 165.99 29.27 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . 0.443 ' HE ' ' CD ' ' D' ' 46' ' ' GLU . 72.6 mtm-85 -63.92 154.16 34.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 168.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.45 -26.59 68.02 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.584 -0.697 . . . . 0.0 111.651 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . 0.443 ' CD ' ' HE ' ' D' ' 44' ' ' ARG . 6.3 pt-20 -71.25 -23.76 62.05 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.891 0.876 . . . . 0.0 112.703 172.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -94.88 -35.83 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.903 1.281 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.59 -40.25 65.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.75 0.82 . . . . 0.0 110.884 173.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.38 -20.99 65.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.543 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 7.6 mtt85 -81.7 -37.76 26.87 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.973 0.806 . . . . 0.0 111.37 170.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.401 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 71.4 mt -73.83 -36.74 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -80.64 1.92 27.92 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.054 0.942 . . . . 0.0 110.986 173.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -75.88 -15.39 60.22 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.791 0.836 . . . . 0.0 111.456 168.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.83 40.59 0.28 Allowed Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.825 -0.986 . . . . 0.0 114.908 169.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 3.7 pp -158.56 179.03 9.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.071 1.435 . . . . 0.0 113.819 -168.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 29.8 m -141.73 90.35 2.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.079 1.352 . . . . 0.0 108.896 168.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 38.65 80.54 0.27 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 126.528 1.931 . . . . 0.0 114.649 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -64.35 175.56 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.114 2.543 . . . . 0.0 113.675 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.58 1.152 . . . . 0.0 113.126 177.095 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.51 115.76 30.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.14 0.576 . . . . 0.0 110.776 -168.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.68 140.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.987 0.915 . . . . 0.0 109.663 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.61 165.02 25.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.457 1.503 . . . . 0.0 111.28 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.5 103.84 6.64 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 167.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -110.46 128.89 55.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.623 1.569 . . . . 0.0 109.584 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -94.28 166.37 12.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 119.895 1.225 . . . . 0.0 112.383 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.01 139.35 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.381 -169.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.55 85.14 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.144 0.878 . . . . 0.0 114.146 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -96.55 176.5 6.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.637 1.218 . . . . 0.0 111.593 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -135.27 159.81 40.39 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -138.41 156.37 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 126.895 2.078 . . . . 0.0 108.258 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -133.71 148.51 51.45 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mt -137.11 135.43 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.741 1.217 . . . . 0.0 109.085 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.73 -139.09 47.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.44 10.05 7.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.962 0.905 . . . . 0.0 112.494 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -125.48 -14.2 6.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.85 135.07 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 119.243 0.929 . . . . 0.0 111.048 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -127.32 143.25 51.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.367 1.067 . . . . 0.0 109.938 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mm -122.55 140.67 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.982 1.313 . . . . 0.0 108.188 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 44.1 m -135.47 125.26 25.52 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.076 0.55 . . . . 0.0 110.08 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -79.85 103.5 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.03 -34.1 68.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.921 -0.487 . . . . 0.0 110.655 -175.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.15 -170.52 37.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.175 0.417 . . . . 0.0 113.655 169.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -122.8 161.41 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.972 0.909 . . . . 0.0 111.797 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.5 91.61 1.84 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.328 1.051 . . . . 0.0 109.306 169.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.42 -103.02 1.34 Allowed Glycine 0 CA--C 1.525 0.665 0 O-C-N 121.835 -0.541 . . . . 0.0 111.784 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.05 -18.84 16.07 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.436 0.618 . . . . 0.0 112.003 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -70.55 145.73 50.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.93 118.84 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -95.88 122.19 38.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.679 0.791 . . . . 0.0 109.55 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.9 126.89 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.491 0.317 . . . . 0.0 110.889 -167.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.81 140.47 15.91 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.399 0.999 . . . . 0.0 111.413 172.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -130.1 122.41 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 124.979 1.312 . . . . 0.0 108.764 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -122.22 99.02 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 109.276 -172.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.55 71.91 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.283 1.033 . . . . 0.0 110.443 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.59 158.67 40.36 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -71.59 -0.93 11.87 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.518 0.727 . . . . 0.0 112.679 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.01 -23.82 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.83 1.252 . . . . 0.0 112.147 169.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.05 160.99 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.827 0.851 . . . . 0.0 111.111 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.49 155.78 17.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 124.68 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.127 0.571 . . . . 0.0 109.736 168.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -148.67 170.59 17.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.706 0.802 . . . . 0.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -65.25 157.88 27.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.74 -26.94 68.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.098 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -60.03 -45.25 93.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.957 1.303 . . . . 0.0 111.996 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -84.49 -32.29 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.673 0.789 . . . . 0.0 110.226 -173.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.11 -35.17 61.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.552 1.141 . . . . 0.0 112.767 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.9 -26.16 67.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.64 0.776 . . . . 0.0 112.534 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.01 -23.03 61.33 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.646 0.778 . . . . 0.0 110.69 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 89.3 mt -96.83 -48.09 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.39 1.076 . . . . 0.0 109.407 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -70.63 3.09 3.36 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.23 66.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.671 0.788 . . . . 0.0 111.784 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.44 31.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.103 -0.832 . . . . 0.0 114.576 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.25 166.12 33.15 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.599 1.2 . . . . 0.0 112.9 -168.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -144.79 6.54 1.21 Allowed 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.682 1.193 . . . . 0.0 111.943 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.3 134.27 24.43 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.867 0.867 . . . . 0.0 110.247 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -59.98 172.9 2.03 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.6 2.867 . . . . 0.0 113.7 173.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.954 1.302 . . . . 0.0 112.737 177.362 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.21 147.44 25.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.288 0.495 . . . . 0.0 111.6 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.18 126.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.28 149.45 32.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 108.801 175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.69 97.0 4.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 168.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.0 51.81 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.737 0.815 . . . . 0.0 111.163 -174.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -94.91 173.61 7.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -171.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -57.91 138.04 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.101 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -7.75 76.99 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.042 -0.866 . . . . 0.0 114.64 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.86 176.04 9.91 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.177 1.489 . . . . 0.0 112.412 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 33.7 m -146.44 155.1 42.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.041 0.936 . . . . 0.0 111.173 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -135.76 155.99 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 126.292 1.837 . . . . 0.0 108.006 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -130.27 151.85 50.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.254 -0.904 . . . . 0.0 112.501 -176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -136.48 140.87 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.741 1.216 . . . . 0.0 109.152 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.13 -139.27 48.87 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -119.51 10.06 11.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.07 0.948 . . . . 0.0 111.797 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.21 -15.33 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.61 137.09 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 119.22 0.918 . . . . 0.0 110.903 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -128.41 143.68 51.03 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.438 1.095 . . . . 0.0 110.65 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.36 138.15 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.961 1.705 . . . . 0.0 108.283 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -136.84 132.21 34.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.825 0.85 . . . . 0.0 109.984 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . 0.403 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.3 tp -88.54 110.79 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.9 -28.92 55.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.026 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.26 -168.41 30.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 123.826 0.727 . . . . 0.0 113.08 168.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -122.72 158.42 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 C-N-CA 123.598 0.759 . . . . 0.0 111.964 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 31.2 m -143.84 89.97 2.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.023 1.329 . . . . 0.0 109.084 169.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -105.91 1.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.76 -20.11 19.78 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.259 0.529 . . . . 0.0 111.901 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -74.28 143.79 44.87 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.163 0.585 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.06 111.34 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -87.62 124.33 33.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.3 134.13 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.756 0.822 . . . . 0.0 110.101 -168.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.06 137.92 13.68 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.31 138.62 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 109.61 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -127.4 110.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.245 1.018 . . . . 0.0 108.899 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.09 157.87 77.07 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.807 0.843 . . . . 0.0 111.189 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.8 160.59 40.04 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.744 2.296 . . . . 0.0 112.106 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.55 -14.64 44.46 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.77 -14.86 61.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.533 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -128.1 164.93 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.881 0.872 . . . . 0.0 111.025 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.97 14.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.388 0.675 . . . . 0.0 111.517 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.64 119.3 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.367 0.667 . . . . 0.0 109.929 169.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -152.21 173.58 14.81 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.975 0.91 . . . . 0.0 110.225 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -78.01 161.31 27.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.96 -0.463 . . . . 0.0 110.103 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -62.03 -23.48 66.48 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -170.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.6 -47.21 85.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.988 0.915 . . . . 0.0 111.621 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.27 -28.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.703 0.801 . . . . 0.0 110.155 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -54.91 -35.89 64.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.836 0.854 . . . . 0.0 112.423 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.57 -28.45 66.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.267 0.627 . . . . 0.0 112.377 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -71.72 -22.95 61.56 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.529 0.732 . . . . 0.0 110.665 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -95.79 -48.14 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 123.79 0.836 . . . . 0.0 110.173 -170.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.66 3.06 2.69 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.21 67.62 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.699 0.8 . . . . 0.0 112.349 169.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.05 25.83 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.54 -175.57 5.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.584 1.192 . . . . 0.0 111.622 -169.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -119.71 -28.27 5.29 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.376 0.67 . . . . 0.0 112.102 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.0 123.56 23.61 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 123.845 0.858 . . . . 0.0 110.111 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -57.7 141.93 95.72 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.194 2.596 . . . . 0.0 113.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 125.777 1.631 . . . . 0.0 113.411 173.6 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.227 3.027 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.56 3.36 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 112.439 4.239 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 111.849 3.649 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.703 3.503 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C5'-C4'-O4' 114.566 3.833 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 O4'-C1'-N19 112.329 4.129 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C3'-C2'-C1' 104.218 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O5'-C5'-C4' 113.433 2.309 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 0 C3'-C2'-C1' 104.755 3.617 . 0.198 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C3'-C2'-C1' 103.713 2.459 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 110.939 -3.041 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C4'-C3'-C2' 100.349 -2.351 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.74 3.54 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 N19-C1'-C2' 109.007 -2.746 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 O4'-C1'-N19 112.423 4.223 . 0.063 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C4'-C3'-C2' 100.456 -2.244 OUTLIER-DELTA 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 2 O4'-C1'-N19 113.393 5.193 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 O4'-C1'-N19 112.522 4.322 . 0.344 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 112.655 4.455 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.064 -2.636 . 0.415 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.597 4.397 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 112.185 3.985 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 N19-C1'-C2' 108.443 -3.098 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 O4'-C1'-N19 111.404 3.204 . 0.43 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.535 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 N19-C1'-C2' 116.465 1.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.52 0 C5'-C4'-C3' 111.99 -2.34 . 0.064 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.437 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C5'-C4'-C3' 111.159 -2.894 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 0 O5'-C5'-C4' 105.816 -3.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C4'-C3'-C2' 99.569 -3.131 . 0.018 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.166 2.966 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 1 O4'-C1'-N19 112.204 4.004 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 99.207 -3.493 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.562 -3.138 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.147 3.947 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 114.815 6.615 . 0.184 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.474 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.054 2.854 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.474 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C3'-C2'-C1' 103.808 2.565 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 113.301 5.101 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C5'-C4'-C3' 109.84 -3.774 . 0.033 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 1 O4'-C1'-N19 112.348 4.148 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C3'-C2'-C1' 105.039 3.932 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.423 4.223 . 0.284 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 O4'-C1'-N19 112.455 4.255 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C4'-C3'-C2' 99.896 -2.804 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . 0.415 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 O4'-C1'-N19 112.356 4.156 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 O4'-C1'-N19 111.723 3.523 . 0.378 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.468 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.991 2.791 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 111.299 3.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 0 C3'-C2'-C1' 103.782 2.536 . 0.422 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 O5'-C5'-C4' 117.285 5.061 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 111.57 -2.62 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 1 O4'-C1'-N19 112.426 4.226 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C4'-C3'-C2' 100.082 -2.618 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.369 3.169 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.917 4.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.811 4.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 111.633 3.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.253 3.053 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.908 3.708 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.431 3.231 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.443 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C3'-C2'-C1' 104.89 3.767 . 0.511 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.443 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.435 -3.265 . 0.11 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O5'-C5'-C4' 113.423 2.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . 0.601 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 C3'-C2'-C1' 106.371 5.412 . 0.391 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.601 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.675 1 O5'-C5'-C4' 121.064 7.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.514 " H5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C4'-C3'-C2' 99.287 -3.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 111.212 -2.859 . 0.935 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 112.01 3.81 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.212 3.012 . 0.587 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 111.874 3.674 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 109.73 22.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.929 . . . . 0.0 108.934 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.34 133.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 108.949 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.7 mt -131.57 158.82 39.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.507 1.123 . . . . 0.0 109.688 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -122.2 101.02 7.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -95.96 167.4 11.26 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.042 0.537 . . . . 0.0 110.552 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -129.87 156.61 44.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -50.11 122.79 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 122.664 0.386 . . . . 0.0 110.933 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.46 -5.27 60.47 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.698 1.142 . . . . 0.0 114.437 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -93.28 167.66 11.6 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.866 1.333 . . . . 0.0 112.107 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -140.37 158.88 43.34 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -124.33 156.37 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 126.66 1.984 . . . . 0.0 108.136 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -125.19 134.01 52.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.592 1.157 . . . . 0.0 109.797 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -124.02 132.12 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.37 1.068 . . . . 0.0 109.111 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.29 -128.92 33.97 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -125.08 -2.92 7.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.921 0.888 . . . . 0.0 112.496 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -134.59 -19.77 1.84 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.1 142.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 118.547 0.612 . . . . 0.0 111.101 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -134.14 143.13 47.76 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.365 1.066 . . . . 0.0 109.826 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -125.71 141.74 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.026 1.33 . . . . 0.0 108.221 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -139.49 137.94 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.576 0.626 . . . . 0.0 110.505 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -89.65 99.69 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.55 -27.07 60.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.804 -0.56 . . . . 0.0 110.58 -175.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.72 -170.5 42.35 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 118.001 0.364 . . . . 0.0 113.833 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.91 156.28 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.033 0.933 . . . . 0.0 111.478 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -140.94 68.57 1.34 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.704 1.201 . . . . 0.0 109.726 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.7 -117.08 5.62 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -83.83 -3.0 57.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.207 0.603 . . . . 0.0 111.985 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -99.72 160.85 13.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.849 0.833 . . . . 0.0 112.723 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -141.28 128.67 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 126.09 1.756 . . . . 0.0 108.403 -170.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -104.09 102.0 11.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.213 1.005 . . . . 0.0 110.111 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.76 131.7 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.0 109.406 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.96 140.2 15.05 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 123.975 0.798 . . . . 0.0 111.62 170.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -116.41 132.38 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.688 1.595 . . . . 0.0 107.9 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -125.31 74.93 1.42 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.169 0.985 . . . . 0.0 109.404 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.31 154.13 39.17 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.925 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -71.93 154.64 58.16 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.486 2.124 . . . . 0.0 110.251 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -69.48 -2.48 11.34 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -68.65 -25.39 64.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 111.757 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -116.33 143.97 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.869 0.842 . . . . 0.0 111.778 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 142.98 32.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.056 0.942 . . . . 0.0 110.799 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.34 128.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.539 0.336 . . . . 0.0 110.343 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.427 ' CD2' HD11 ' A' ' 51' ' ' ILE . 90.0 m-70 -151.38 -176.0 5.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.523 1.129 . . . . 0.0 110.031 -169.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -130.18 167.15 18.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 169.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.18 -26.89 68.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.64 -27.33 67.71 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 112.627 171.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -113.78 -23.66 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.379 1.472 . . . . 0.0 110.829 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.35 -31.38 72.52 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.519 -0.738 . . . . 0.0 110.497 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -75.53 -13.85 60.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.688 0.795 . . . . 0.0 111.456 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.46 -32.36 37.2 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.616 1.166 . . . . 0.0 110.642 169.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.494 HG22 HE21 ' A' ' 52' ' ' GLN . 23.0 mt -64.84 -53.2 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.695 0.798 . . . . 0.0 108.986 172.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 HE21 HG22 ' A' ' 51' ' ' ILE . 86.0 mm-40 -84.12 5.27 26.79 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.144 0.578 . . . . 0.0 112.302 -173.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.08 72.34 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.135 0.574 . . . . 0.0 111.445 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.24 19.46 0.02 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.522 0.582 . . . . 0.0 113.519 172.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.7 94.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 t 104.43 155.77 0.01 OUTLIER 'General case' 0 C--O 1.23 0.075 0 C-N-CA 129.267 3.027 . . . . 0.0 111.848 -168.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.21 155.18 82.27 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 124.249 1.02 . . . . 0.0 111.902 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -71.47 165.75 31.5 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.023 2.482 . . . . 0.0 112.683 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 124.881 1.272 . . . . 0.0 111.731 -177.611 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.638 -0.22 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.2 122.56 44.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.505 1.522 . . . . 0.0 107.661 168.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -120.09 138.82 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 122.887 0.475 . . . . 0.0 111.504 -166.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -133.5 143.37 48.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.576 1.151 . . . . 0.0 110.191 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.7 m -119.74 104.97 10.7 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -130.12 162.49 28.71 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.435 1.094 . . . . 0.0 110.654 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -94.45 167.26 11.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.09 137.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.19 -1.75 82.93 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.073 -0.848 . . . . 0.0 114.283 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -82.84 158.5 22.7 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.034 1.417 . . . . 0.0 112.188 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -125.28 142.64 51.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.412 1.085 . . . . 0.0 111.338 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.0 mt -135.63 153.79 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.321 1.448 . . . . 0.0 109.406 -169.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -138.57 144.56 39.89 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.469 -0.769 . . . . 0.0 112.901 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -135.42 128.35 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 124.345 1.058 . . . . 0.0 109.633 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 -139.32 48.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -121.69 4.97 10.04 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.914 0.886 . . . . 0.0 112.647 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -113.74 -22.77 10.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.49 137.04 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 118.97 0.805 . . . . 0.0 111.351 -169.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.3 m -132.47 150.54 52.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.882 1.273 . . . . 0.0 109.795 170.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mm -130.01 146.42 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 126.141 1.776 . . . . 0.0 107.978 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.8 m -140.17 129.09 23.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 122.055 -0.403 . . . . 0.0 109.956 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -81.61 104.84 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 170.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -30.12 59.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.943 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.76 -178.69 34.85 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 113.378 0.111 . . . . 0.0 113.378 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.85 150.94 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.184 0.594 . . . . 0.0 110.78 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 14.1 t -133.94 75.18 1.58 Allowed 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.459 1.104 . . . . 0.0 108.589 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.31 -114.43 3.95 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.04 7.38 43.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.472 0.709 . . . . 0.0 110.946 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -99.03 156.02 17.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.171 0.988 . . . . 0.0 110.258 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.82 114.49 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.556 1.143 . . . . 0.0 108.977 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.42 122.04 31.47 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.41 1.084 . . . . 0.0 109.641 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -130.98 130.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.184 0.994 . . . . 0.0 109.945 -169.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 138.87 14.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 169.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.8 mt -123.26 131.09 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.773 0.797 . . . . 0.0 109.058 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -132.23 79.23 1.85 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.765 -167.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.27 156.92 71.7 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 114.097 -1.411 . . . . 0.0 109.762 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.98 154.25 52.1 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.75 1.633 . . . . 0.0 109.766 168.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.21 -0.88 8.71 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.909 0.884 . . . . 0.0 111.562 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.75 -25.71 67.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.101 1.76 . . . . 0.0 111.102 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 m -108.46 144.16 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.371 1.068 . . . . 0.0 109.937 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.5 141.73 29.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.292 0.568 . . . . 0.0 111.183 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.82 94.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.094 -166.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.88 159.42 44.2 Favored 'General case' 0 CA--C 1.523 -0.071 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -65.21 158.31 26.49 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.028 0.531 . . . . 0.0 111.636 169.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -49.49 -45.22 46.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.8 0.84 . . . . 0.0 112.453 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.08 -47.92 53.4 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.011 0.524 . . . . 0.0 110.688 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -73.58 -49.3 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 C-N-CA 125.031 1.332 . . . . 0.0 110.245 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -51.26 -37.41 47.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.534 1.134 . . . . 0.0 111.676 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -68.92 -26.18 64.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.58 0.752 . . . . 0.0 112.877 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -76.2 -44.09 39.39 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.041 0.837 . . . . 0.0 109.742 171.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.525 HG22 HE22 ' B' ' 52' ' ' GLN . 97.0 mt -62.2 -38.32 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.235 0.614 . . . . 0.0 109.478 -173.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.525 HE22 HG22 ' B' ' 51' ' ' ILE . 15.8 mm-40 -81.48 0.34 38.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 175.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -76.88 -18.71 58.16 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.23 0.612 . . . . 0.0 111.651 169.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.9 50.61 0.1 Allowed Glycine 0 C--N 1.337 0.635 0 C-N-CA 123.597 0.618 . . . . 0.0 113.547 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.52 -176.78 2.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.515 0.657 . . . . 0.0 112.307 -168.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 52.7 p -130.95 -173.55 3.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.951 1.3 . . . . 0.0 109.518 168.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.55 122.95 3.62 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.799 0.84 . . . . 0.0 111.217 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -52.88 -41.5 70.23 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.994 3.129 . . . . 0.0 113.861 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 123.239 0.616 . . . . 0.0 110.677 -169.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpp . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 110.94 21.84 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.02 135.18 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.744 0.818 . . . . 0.0 109.846 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.46 134.97 50.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.969 0.908 . . . . 0.0 108.939 168.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -90.37 145.96 24.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.06 123.83 11.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.943 -174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 6.8 tptm -75.18 151.55 38.49 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m -58.24 137.91 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.439 -0.788 . . . . 0.0 112.057 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -5.1 84.88 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.932 1.253 . . . . 0.0 114.315 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -88.4 176.51 7.16 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.465 1.633 . . . . 0.0 112.075 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -133.24 160.59 36.84 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -141.28 156.47 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.193 2.197 . . . . 0.0 108.62 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -128.53 148.79 50.78 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.752 1.221 . . . . 0.0 111.929 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.22 138.22 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.897 1.279 . . . . 0.0 109.318 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.7 -136.2 50.05 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.21 10.04 8.04 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.257 1.023 . . . . 0.0 111.454 168.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.55 -16.72 6.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.729 1.211 . . . . 0.0 113.128 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.49 138.1 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.949 0.795 . . . . 0.0 111.411 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 18.5 m -126.09 144.24 50.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.827 1.251 . . . . 0.0 109.513 173.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -124.53 140.55 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 125.012 1.325 . . . . 0.0 108.471 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -135.06 128.61 32.6 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.685 0.394 . . . . 0.0 110.565 -176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.73 114.81 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.475 HD13 " H1'" ' G' ' 67' ' ' ' C' . 6.6 mt -88.57 -38.79 14.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.943 -0.473 . . . . 0.0 109.853 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.0 -174.84 43.54 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.335 -0.459 . . . . 0.0 114.215 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.4 151.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.445 0.698 . . . . 0.0 111.68 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -144.63 107.97 4.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 109.082 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.16 -120.36 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -96.5 -7.1 35.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.416 ' HG3' ' HE2' ' D' ' 7' ' ' LYS . 19.9 mt-30 -79.98 155.01 27.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.966 0.889 . . . . 0.0 111.678 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -139.93 115.62 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -79.7 112.26 16.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 mt -117.66 128.03 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.964 1.306 . . . . 0.0 109.893 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.55 143.58 16.8 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 124.292 0.948 . . . . 0.0 112.403 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.9 mt -129.98 122.24 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 125.109 1.363 . . . . 0.0 108.521 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -121.55 98.1 5.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.232 0.613 . . . . 0.0 109.981 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.77 157.05 79.25 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 124.431 1.092 . . . . 0.0 109.821 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -62.82 151.8 82.16 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.377 2.051 . . . . 0.0 110.827 170.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.6 -1.05 4.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 172.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.94 -19.96 66.04 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.804 1.241 . . . . 0.0 111.443 168.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -125.82 148.78 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.118 0.967 . . . . 0.0 110.74 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.51 156.94 19.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.768 0.427 . . . . 0.0 111.415 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.56 134.96 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.366 0.666 . . . . 0.0 109.324 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -154.64 162.98 40.89 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 123.326 0.65 . . . . 0.0 111.458 -174.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -72.9 154.52 40.54 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 165.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.86 -30.05 71.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.101 0.864 . . . . 0.0 111.669 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.93 -24.82 63.42 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.2 -36.4 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.628 0.771 . . . . 0.0 110.369 174.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -54.31 -37.82 65.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.414 1.086 . . . . 0.0 112.068 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.62 -22.34 66.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.299 0.64 . . . . 0.0 112.607 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -72.6 -40.76 66.28 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.756 171.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.86 -21.42 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -94.82 2.2 55.45 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.578 1.151 . . . . 0.0 113.153 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.01 4.11 3.77 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.67 25.1 5.84 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.91 0.767 . . . . 0.0 112.838 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.91 -23.06 66.55 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.706 0.753 . . . . 0.0 112.193 -176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 28.1 p -79.85 -12.94 59.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.296 1.038 . . . . 0.0 112.826 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.33 81.37 12.5 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 123.852 0.861 . . . . 0.0 110.669 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.15 170.03 5.49 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.477 2.785 . . . . 0.0 113.127 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.456 -0.152 0 C-N-CA 124.374 1.07 . . . . 0.0 112.467 177.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.468 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.8 ttp . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.803 -0.073 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -108.01 116.36 31.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.585 1.554 . . . . 0.0 108.746 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.6 mp -103.14 131.08 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.965 1.306 . . . . 0.0 108.845 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 41.2 mt -115.92 172.89 6.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.905 1.282 . . . . 0.0 110.01 172.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -132.23 109.82 10.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.683 169.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -121.81 137.94 54.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 125.835 1.654 . . . . 0.0 109.167 -169.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.416 ' HE2' ' HG3' ' C' ' 29' ' ' GLN . 18.7 ptpt -101.11 163.67 12.17 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 120.454 1.479 . . . . 0.0 113.717 172.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.41 137.28 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.613 -169.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.54 86.94 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.525 1.059 . . . . 0.0 114.121 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -87.99 175.97 7.53 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.87 1.335 . . . . 0.0 111.864 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -136.34 163.27 30.82 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -150.96 159.42 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 127.99 2.516 . . . . 0.0 108.398 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -138.62 153.0 48.6 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.035 0.934 . . . . 0.0 112.635 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -133.66 139.14 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.889 1.275 . . . . 0.0 108.988 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.32 -134.54 52.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.53 9.97 5.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.348 1.059 . . . . 0.0 112.451 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.03 -13.16 5.17 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.21 137.44 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.019 0.827 . . . . 0.0 110.965 -169.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 45.7 m -121.7 145.49 47.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.645 1.178 . . . . 0.0 109.755 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -129.12 139.68 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 108.203 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -137.34 130.75 31.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.755 0.422 . . . . 0.0 110.003 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -87.97 87.62 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.0 -29.25 69.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.801 -0.562 . . . . 0.0 112.02 -168.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.88 -174.5 40.04 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 118.168 0.44 . . . . 0.0 113.764 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.18 159.14 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.332 0.653 . . . . 0.0 110.902 169.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -144.83 76.04 1.48 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.874 0.87 . . . . 0.0 109.035 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.33 -116.78 4.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.496 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.4 mp0 -91.93 -9.3 43.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.505 172.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.58 157.4 35.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 121.584 0.706 . . . . 0.0 111.706 169.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -134.81 125.08 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 114.196 -1.365 . . . . 0.0 108.462 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -81.47 114.65 20.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 168.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -116.17 122.45 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 123.655 0.782 . . . . 0.0 108.938 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.1 131.15 10.5 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.68 139.99 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 123.999 0.92 . . . . 0.0 108.812 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.11 89.99 2.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.657 0.783 . . . . 0.0 109.154 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.46 157.81 55.34 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 124.823 1.249 . . . . 0.0 109.64 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.31 151.06 84.68 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.013 1.808 . . . . 0.0 110.513 169.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -69.39 -1.0 7.23 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.09 -23.17 66.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.744 1.218 . . . . 0.0 111.534 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -124.12 159.67 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.167 0.987 . . . . 0.0 110.902 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.11 157.08 16.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.485 0.714 . . . . 0.0 112.251 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.84 125.28 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 168.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -148.58 165.37 31.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.332 0.653 . . . . 0.0 111.616 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.5 mtm105 -65.58 157.93 28.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.107 0.563 . . . . 0.0 110.566 169.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.41 -40.49 96.68 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.37 -0.831 . . . . 0.0 111.7 -176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -70.4 -9.07 55.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.739 HD12 ' C2 ' ' G' ' 7' ' ' ' C' . 26.6 mm -102.02 -44.76 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.588 1.155 . . . . 0.0 110.799 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -45.36 -37.72 5.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.446 1.898 . . . . 0.0 112.658 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -57.89 -21.03 41.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.857 1.263 . . . . 0.0 113.68 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -50.58 10.74 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 119.053 0.842 . . . . 0.0 110.544 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.508 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.7 mp -66.58 -18.97 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.232 1.413 . . . . 0.0 111.852 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -95.46 -6.96 39.55 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -54.64 2.6 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.746 0.818 . . . . 0.0 113.035 -174.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.53 -3.61 0.11 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.644 0.64 . . . . 0.0 114.183 -174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 77.6 144.26 0.08 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.556 2.343 . . . . 0.0 113.571 166.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 87.7 m -140.81 145.6 36.5 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.88 1.272 . . . . 0.0 109.188 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.89 79.27 0.35 Allowed Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.203 1.401 . . . . 0.0 112.391 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -66.22 -177.41 0.83 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.926 3.084 . . . . 0.0 114.668 -172.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 N--CA 1.456 -0.172 0 C-N-CA 125.194 1.398 . . . . 0.0 112.531 175.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -139.68 113.9 8.98 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.625 1.97 . . . . 0.0 106.876 167.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.84 142.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.323 1.049 . . . . 0.0 110.385 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -139.64 159.8 41.34 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.373 1.469 . . . . 0.0 110.871 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -127.48 106.2 9.03 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 165.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.431 ' HD3' HG13 ' E' ' 12' ' ' ILE . 2.8 mtp180 -104.94 162.24 13.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.233 1.813 . . . . 0.0 110.241 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -111.68 171.68 7.35 Favored 'General case' 0 CA--C 1.523 -0.065 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 168.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.22 140.27 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.035 0.445 . . . . 0.0 112.136 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.94 -5.89 84.15 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.157 0.884 . . . . 0.0 114.793 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . 0.403 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.0 mm-40 -90.51 170.42 10.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.083 1.442 . . . . 0.0 112.799 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 67.1 m -131.53 151.67 51.38 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.795 0.838 . . . . 0.0 112.366 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.431 HG13 ' HD3' ' E' ' 6' ' ' ARG . 37.8 mt -131.32 151.74 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.876 2.07 . . . . 0.0 107.999 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.44 146.03 47.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.257 0.623 . . . . 0.0 111.152 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -133.18 133.38 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.587 1.155 . . . . 0.0 108.942 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.92 -132.78 52.73 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.96 10.03 5.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.723 0.809 . . . . 0.0 112.65 172.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -125.11 -13.54 6.76 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.59 133.98 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.107 0.867 . . . . 0.0 110.873 -171.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -124.07 142.34 51.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.379 1.072 . . . . 0.0 109.97 173.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mm -121.88 134.83 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.695 1.198 . . . . 0.0 108.388 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 17.4 m -133.69 130.98 38.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.274 0.63 . . . . 0.0 110.245 -171.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -89.23 114.45 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 O-C-N 121.891 -0.506 . . . . 0.0 109.676 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.66 -32.36 31.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.559 0.344 . . . . 0.0 110.298 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.55 178.9 28.53 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.073 0.368 . . . . 0.0 113.696 168.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.91 153.81 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.57 0.748 . . . . 0.0 112.171 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -143.42 89.9 2.12 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.023 1.329 . . . . 0.0 108.581 169.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.49 -113.65 6.07 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.843 -0.536 . . . . 0.0 111.765 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.02 -21.42 21.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 117.576 0.688 . . . . 0.0 111.828 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -74.52 143.92 44.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 109.821 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.46 116.52 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -89.06 119.22 29.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.27 134.08 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.277 1.031 . . . . 0.0 110.177 -168.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.3 144.77 17.44 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.408 1.004 . . . . 0.0 111.883 171.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.97 123.81 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.009 1.324 . . . . 0.0 108.91 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -123.7 99.1 6.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.022 0.529 . . . . 0.0 109.613 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.0 76.55 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.331 1.052 . . . . 0.0 110.435 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.97 158.67 32.85 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.67 2.247 . . . . 0.0 111.904 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -68.5 -0.88 5.54 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.498 0.719 . . . . 0.0 112.471 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.98 -25.31 67.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.176 1.39 . . . . 0.0 111.761 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.42 156.1 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.117 0.967 . . . . 0.0 110.879 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.73 156.36 19.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.53 171.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.51 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.868 0.467 . . . . 0.0 110.561 169.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -154.52 168.64 26.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.168 0.987 . . . . 0.0 110.876 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -67.51 161.76 24.79 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.951 -0.468 . . . . 0.0 109.753 167.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -22.86 65.22 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.0 -40.92 77.5 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.348 1.059 . . . . 0.0 111.505 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -91.1 -35.99 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.992 0.917 . . . . 0.0 110.181 -173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -50.22 -36.02 29.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.009 1.323 . . . . 0.0 112.821 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -58.22 -22.02 50.25 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.302 1.041 . . . . 0.0 112.517 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -75.96 -49.71 16.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.414 0.686 . . . . 0.0 109.668 175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.49 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.4 mp -62.41 -23.1 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.042 1.337 . . . . 0.0 110.852 -177.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -85.24 -43.26 13.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 169.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.64 -30.76 9.76 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.42 -18.72 1.6 Allowed Glycine 0 CA--C 1.526 0.719 0 C-N-CA 124.077 0.846 . . . . 0.0 113.039 -169.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.92 -170.69 0.14 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.933 2.493 . . . . 0.0 112.525 169.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -81.69 -15.53 54.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 129.11 12.61 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.454 1.102 . . . . 0.0 110.026 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -66.86 -179.27 1.6 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.988 2.458 . . . . 0.0 114.05 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t0 . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 124.477 1.111 . . . . 0.0 112.509 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.836 -0.061 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.33 149.82 21.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.713 0.405 . . . . 0.0 111.385 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.47 134.84 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.848 0.859 . . . . 0.0 108.691 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -130.09 164.98 23.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.366 1.467 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.39 101.08 6.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.429 ' HA ' ' CZ ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -106.16 133.72 50.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.13 1.372 . . . . 0.0 111.14 -176.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -94.89 164.69 12.81 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 119.319 0.963 . . . . 0.0 113.311 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.36 135.04 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.285 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.96 -6.4 69.42 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.438 1.018 . . . . 0.0 114.113 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -99.94 162.79 12.77 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.953 1.377 . . . . 0.0 111.792 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 44.9 m -128.85 156.21 44.0 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -136.69 159.18 37.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 127.056 2.143 . . . . 0.0 108.131 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.43 148.03 51.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.869 0.868 . . . . 0.0 111.884 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -136.5 139.02 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.452 1.101 . . . . 0.0 109.279 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.35 -138.25 48.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -120.56 10.04 11.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.858 0.863 . . . . 0.0 111.849 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.66 -17.95 1.45 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.53 137.7 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 119.063 0.847 . . . . 0.0 110.645 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -128.47 141.6 51.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.251 1.021 . . . . 0.0 109.994 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -121.03 141.76 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.599 1.56 . . . . 0.0 108.156 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 60.3 m -137.51 130.41 30.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.943 0.497 . . . . 0.0 110.31 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.07 109.9 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' F' ' 31' ' ' ARG . 27.4 mt -82.41 -27.94 31.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.535 0.734 . . . . 0.0 111.175 -172.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.93 -173.14 35.19 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.07 0.367 . . . . 0.0 113.468 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.99 157.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.457 0.703 . . . . 0.0 112.394 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -150.04 90.08 1.65 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.15 1.38 . . . . 0.0 109.404 168.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.28 -103.33 1.69 Allowed Glycine 0 CA--C 1.525 0.659 0 O-C-N 121.841 -0.537 . . . . 0.0 111.767 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -99.03 -16.32 18.74 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 117.903 0.851 . . . . 0.0 110.936 168.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -70.57 143.74 51.47 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.529 0.681 . . . . 0.0 109.499 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 63.1 t -141.1 105.94 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . 0.432 ' HG2' HD12 ' F' ' 23' ' ' LEU . 30.2 ttm180 -84.95 127.11 34.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -133.24 138.45 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.758 0.823 . . . . 0.0 110.117 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.89 138.28 14.77 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.34 144.93 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.255 1.022 . . . . 0.0 109.297 172.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -133.75 108.77 8.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.044 0.938 . . . . 0.0 108.945 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.38 158.46 74.47 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.017 0.927 . . . . 0.0 111.182 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.87 159.67 40.86 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.718 2.279 . . . . 0.0 111.977 172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.08 -17.13 23.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.359 1.063 . . . . 0.0 113.305 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -10.49 59.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.178 1.391 . . . . 0.0 112.271 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -128.74 163.15 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.039 0.935 . . . . 0.0 110.795 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.552 0.741 . . . . 0.0 111.32 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.89 122.32 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.14 0.576 . . . . 0.0 110.722 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -151.29 172.5 15.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.079 0.952 . . . . 0.0 110.651 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.56 154.19 42.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.55 -25.36 67.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.082 0.553 . . . . 0.0 111.899 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -56.56 -46.86 80.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.476 1.11 . . . . 0.0 111.485 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -82.83 -33.02 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.014 0.925 . . . . 0.0 110.282 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -52.78 -36.13 57.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.374 1.069 . . . . 0.0 112.333 176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -66.89 -28.06 68.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.344 0.657 . . . . 0.0 112.569 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -75.07 -22.94 58.02 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.273 0.629 . . . . 0.0 111.192 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -96.45 -34.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.15 1.38 . . . . 0.0 110.017 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -81.4 3.12 25.6 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.663 0.785 . . . . 0.0 113.062 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.52 -12.68 23.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.19 38.56 0.2 Allowed Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.502 -0.61 . . . . 0.0 113.45 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.06 -40.83 0.09 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -168.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 45.87 43.25 9.92 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -169.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.77 131.23 5.76 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.042 0.937 . . . . 0.0 110.142 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -63.89 176.76 2.21 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.804 2.336 . . . . 0.0 113.673 174.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.47 1.108 . . . . 0.0 112.578 178.101 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 O4'-C1'-N19 111.483 3.283 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 111.238 3.038 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 O4'-C1'-N19 112.649 4.449 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 111.995 3.795 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.761 3.561 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C4'-C3'-C2' 99.59 -3.11 . 0.151 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.739 ' C2 ' HD12 ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 104.313 3.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O5'-C5'-C4' 113.374 2.267 . 0.058 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 1 C5'-C4'-C3' 109.186 -4.21 . 0.154 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.321 3.121 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.4 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 110.069 -3.621 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 C4'-C3'-C2' 98.278 -4.422 . 0.091 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 99.924 -2.776 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.654 3.454 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 110.903 2.703 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 100.209 -2.491 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 O4'-C1'-N19 112.016 3.816 . 0.298 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 2 O4'-C1'-N19 113.006 4.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 112.197 3.997 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 112.312 4.112 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-O4' 112.767 2.548 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.594 4.394 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 O4'-C1'-N19 112.247 4.047 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 N19-C1'-C2' 109.52 -2.425 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.313 3.113 . 0.522 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C5'-C4'-C3' 111.367 -2.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C3'-C2'-C1' 99.481 -2.243 . 0.123 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 111.958 -2.361 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 111.876 3.676 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C4'-C3'-C2' 99.854 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O4'-C1'-N19 111.196 2.996 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.356 4.156 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C4'-C3'-C2' 99.24 -3.46 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C4'-C3'-C2' 99.699 -3.001 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.138 3.938 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.512 2 O4'-C1'-N19 115.144 6.944 . 0.718 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 C5'-C4'-C3' 108.899 -4.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 103.706 2.451 . 0.414 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 1 O4'-C1'-N19 113.881 5.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 1 C5'-C4'-C3' 109.257 -4.162 . 0.049 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 2 O4'-C1'-N19 113.738 5.538 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.227 4.027 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.047 3.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.672 4.472 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.99 -2.71 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . 0.412 " H2'" " O4'" ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.39 4.19 OUTLIER-EPSILON 0.553 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . 0.412 " O4'" " H2'" ' G' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.397 1 P-O3'-C3' 125.744 5.036 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.456 ' N3 ' " H2'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 C3'-C2'-C1' 105.4 4.333 . 0.23 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C1'-N19 111.21 3.01 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C5'-C4'-C3' 111.052 -2.965 . 0.406 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 1 O5'-C5'-C4' 116.705 4.647 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 110.316 2.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 112.409 4.209 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 C4'-C3'-C2' 99.962 -2.738 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.813 2.613 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 0 O4'-C1'-N19 112.13 3.93 . 0.66 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 113.472 5.272 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 112.117 3.917 . 0.0 OUTLIER '7D dist 2h' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 99.193 -3.507 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.219 4.019 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.69 3.49 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.409 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C5'-C4'-C3' 109.825 -3.783 . 0.166 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.409 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 99.093 -3.607 . 0.013 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 P-O3'-C3' 122.702 2.502 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C5'-C4'-C3' 110.949 -3.034 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.475 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.249 1 C3'-C2'-C1' 96.992 -5.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-C3' 110.019 -3.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C5'-C4'-C3' 111.783 -2.478 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 112.116 3.916 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.3 3.1 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 O4'-C1'-N19 112.296 4.096 . 0.143 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 ttp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 110.73 23.02 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.685 0.794 . . . . 0.0 109.454 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.68 135.66 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.575 0.75 . . . . 0.0 109.246 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.83 152.03 51.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.503 1.121 . . . . 0.0 109.635 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -113.48 100.94 8.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 135.14 54.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.561 0.744 . . . . 0.0 110.451 -168.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.58 154.08 18.86 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 24' ' ' GLY . 40.3 t -48.4 125.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.148 0.579 . . . . 0.0 111.005 -177.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.98 -2.87 61.96 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 114.36 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -100.44 170.2 8.57 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.825 1.312 . . . . 0.0 111.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -136.21 150.4 48.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.4 mm -109.06 154.11 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 125.571 1.548 . . . . 0.0 109.53 169.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -126.18 137.2 53.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.641 1.176 . . . . 0.0 109.967 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mt -131.64 131.26 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.861 0.864 . . . . 0.0 109.648 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.35 -126.42 28.06 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -129.99 -0.82 4.7 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.128 0.971 . . . . 0.0 111.922 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -137.98 -9.16 1.57 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -168.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -113.9 142.27 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.831 0.852 . . . . 0.0 110.443 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m -140.84 150.42 43.26 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.967 0.907 . . . . 0.0 109.168 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -132.48 143.21 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.733 1.213 . . . . 0.0 108.371 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 m -137.97 132.85 32.93 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.636 0.653 . . . . 0.0 110.823 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.4 tp -84.2 96.62 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 169.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.85 -28.9 66.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 122.016 -0.428 . . . . 0.0 110.404 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.08 -167.97 41.0 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.309 0.481 . . . . 0.0 113.382 170.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.64 148.42 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.628 0.771 . . . . 0.0 111.133 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 m -140.72 61.08 1.51 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.819 1.247 . . . . 0.0 110.216 -169.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.43 -122.05 6.3 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.694 -0.563 . . . . 0.0 111.694 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -76.27 -10.52 59.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.224 0.609 . . . . 0.0 111.441 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -98.96 158.1 15.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.52 0.676 . . . . 0.0 111.771 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -139.81 135.99 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.536 1.534 . . . . 0.0 109.188 -169.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.1 101.91 10.93 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.987 0.915 . . . . 0.0 109.558 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -121.02 136.3 58.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.087 0 C-N-CA 123.729 0.812 . . . . 0.0 111.116 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.39 146.4 18.17 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.584 1.088 . . . . 0.0 112.206 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -112.93 137.98 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.801 1.64 . . . . 0.0 108.427 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -124.04 74.99 1.33 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.721 1.208 . . . . 0.0 109.416 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.51 154.18 45.59 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.69 174.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.67 157.9 43.82 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.64 2.227 . . . . 0.0 110.741 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -68.67 -1.59 7.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.99 -30.95 71.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.792 0.837 . . . . 0.0 111.495 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.98 143.87 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.845 0.831 . . . . 0.0 111.513 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.12 141.98 28.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.926 0.89 . . . . 0.0 110.563 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 m -133.61 123.83 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.73 0.412 . . . . 0.0 109.982 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -152.21 159.34 43.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.791 0.436 . . . . 0.0 111.429 -174.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' B' ' 12' ' ' ILE . 3.3 ptm85 -79.64 152.65 29.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.525 0.73 . . . . 0.0 112.295 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.23 -39.18 91.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -75.36 0.93 15.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.03 -26.03 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 125.12 1.368 . . . . 0.0 111.175 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.501 -0.75 . . . . 0.0 110.43 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -74.14 -12.94 60.74 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.575 0.75 . . . . 0.0 111.845 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -80.26 -33.69 37.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.295 1.038 . . . . 0.0 110.855 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.631 HG22 HE21 ' A' ' 52' ' ' GLN . 33.6 mt -65.56 -53.48 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.063 0.945 . . . . 0.0 108.631 173.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.631 HE21 HG22 ' A' ' 51' ' ' ILE . 56.0 mm-40 -83.91 5.29 25.93 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.0 -21.6 59.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.872 0.469 . . . . 0.0 111.387 168.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.02 6.36 0.21 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.513 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 56' ' ' THR . 8.1 mt -88.24 90.6 8.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 55' ' ' LEU . 12.3 p 141.06 133.23 0.0 OUTLIER 'General case' 0 C--N 1.337 0.05 0 C-N-CA 129.762 3.225 . . . . 0.0 109.233 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.1 152.2 47.48 Favored Pre-proline 0 N--CA 1.455 -0.201 0 C-N-CA 123.233 0.613 . . . . 0.0 110.698 167.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -75.9 162.99 34.1 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 123.077 2.518 . . . . 0.0 111.86 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 124.652 1.181 . . . . 0.0 111.592 -178.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 tpp . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.97 119.86 39.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 168.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.422 HD11 " H5'" ' G' ' 52' ' ' ' A' . 52.0 mt -119.19 142.72 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.78 0.432 . . . . 0.0 111.994 -166.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.47 149.51 52.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.598 1.159 . . . . 0.0 110.468 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.1 m -112.09 103.72 11.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 169.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -110.26 173.0 6.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.741 0.817 . . . . 0.0 109.933 -171.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -118.76 163.32 17.04 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.598 0.359 . . . . 0.0 111.754 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.21 125.13 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.567 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.29 -6.25 55.85 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.84 -0.978 . . . . 0.0 115.211 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -75.27 155.48 36.65 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 119.548 1.674 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -131.25 146.58 52.37 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.309 1.044 . . . . 0.0 111.324 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.4 mm -135.27 154.26 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 126.563 1.945 . . . . 0.0 109.137 -173.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -127.87 144.85 51.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.446 1.099 . . . . 0.0 110.997 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.37 129.35 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.501 1.121 . . . . 0.0 109.357 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.6 -134.34 52.46 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.01 5.07 6.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.772 0.829 . . . . 0.0 112.835 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -115.23 -20.09 10.52 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.25 137.25 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 119.024 0.829 . . . . 0.0 111.286 -169.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -133.33 149.45 51.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.864 1.265 . . . . 0.0 109.932 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.16 144.49 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.273 1.829 . . . . 0.0 108.001 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -141.04 134.06 29.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.906 0.482 . . . . 0.0 110.516 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.75 116.76 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 169.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -84.29 -32.96 24.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.081 -0.387 . . . . 0.0 111.037 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.3 35.79 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 122.58 0.134 . . . . 0.0 112.91 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -109.97 148.81 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.195 0.521 . . . . 0.0 110.74 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -130.29 73.28 1.52 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.936 1.294 . . . . 0.0 108.582 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.67 -113.15 3.67 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.472 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.44 13.73 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.249 0.547 . . . . 0.0 111.678 170.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -99.0 156.09 17.09 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.308 1.043 . . . . 0.0 109.199 168.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -137.79 118.95 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -171.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.08 118.32 27.57 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.487 1.115 . . . . 0.0 109.712 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.09 136.45 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.559 1.143 . . . . 0.0 109.877 -169.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.28 141.22 15.18 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 123.758 0.694 . . . . 0.0 111.859 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -124.17 132.98 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 109.447 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -133.0 75.92 1.65 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.807 -168.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.01 158.14 53.29 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.525 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.79 155.67 47.66 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.761 1.641 . . . . 0.0 109.877 168.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -0.83 8.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 122.043 0.925 . . . . 0.0 112.094 173.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.83 -22.99 66.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.991 1.716 . . . . 0.0 110.897 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.32 144.09 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.64 1.176 . . . . 0.0 109.753 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.01 140.96 29.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.342 0.592 . . . . 0.0 111.253 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 t -142.51 98.36 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.254 -166.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.78 158.63 44.29 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 122.793 0.437 . . . . 0.0 111.978 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 33.0 ptt-85 -64.66 157.57 26.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.23 0.612 . . . . 0.0 111.434 169.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -55.67 -40.92 72.93 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.224 0.61 . . . . 0.0 112.633 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.77 -19.57 65.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -89.96 -49.44 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.325 0.65 . . . . 0.0 110.51 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.51 -42.01 22.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.618 0.767 . . . . 0.0 111.024 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.33 -10.18 56.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.9 mpt_? -91.97 -28.81 16.99 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 119.309 0.958 . . . . 0.0 112.49 169.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 mt -71.81 -62.05 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.696 0.798 . . . . 0.0 112.698 -166.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.59 1.57 1.2 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -74.09 -19.17 60.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.325 170.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.0 29.07 0.05 OUTLIER Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.054 -0.859 . . . . 0.0 115.101 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -168.97 -172.95 1.68 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.524 1.162 . . . . 0.0 112.847 -167.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 22.1 p -130.45 -171.74 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.86 1.264 . . . . 0.0 108.902 167.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.07 125.61 2.06 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.232 1.013 . . . . 0.0 112.042 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.36 -175.31 0.52 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.072 2.514 . . . . 0.0 113.099 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.097 0.959 . . . . 0.0 112.466 171.409 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 107.26 14.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 134.88 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.724 0.81 . . . . 0.0 109.521 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.55 134.97 48.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.022 0.929 . . . . 0.0 109.316 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.5 p -92.47 141.13 28.85 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.202 169.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -136.72 144.24 43.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.998 0.519 . . . . 0.0 110.209 171.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.4 tptm -82.28 156.88 24.08 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 167.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.01 134.12 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 O-C-N 121.582 -0.699 . . . . 0.0 111.527 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.56 -2.78 81.0 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.543 1.068 . . . . 0.0 114.441 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -89.1 175.3 7.44 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.235 1.517 . . . . 0.0 112.495 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -135.06 157.79 46.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -167.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mt -139.75 159.24 27.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 127.814 2.446 . . . . 0.0 107.94 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.83 149.36 52.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.235 1.014 . . . . 0.0 112.298 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.82 141.99 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.639 1.176 . . . . 0.0 109.044 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.24 -136.72 50.72 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.808 0.718 . . . . 0.0 111.739 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -122.83 9.98 9.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.257 1.023 . . . . 0.0 111.274 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -132.25 -10.72 3.29 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.39 136.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 118.698 0.681 . . . . 0.0 110.921 -170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -124.57 138.52 54.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.577 1.151 . . . . 0.0 109.282 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -119.04 137.96 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.539 1.136 . . . . 0.0 108.384 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -132.23 130.94 41.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.671 0.389 . . . . 0.0 110.505 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -84.38 114.61 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 168.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.539 HD12 ' HG2' ' C' ' 31' ' ' ARG . 6.1 mt -89.02 -34.32 16.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -174.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.64 -179.47 39.95 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 113.668 0.227 . . . . 0.0 113.668 168.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.02 154.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.67 0.788 . . . . 0.0 110.259 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -149.0 104.63 3.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -127.51 26.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.05 -0.38 55.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.995 0.918 . . . . 0.0 112.352 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.04 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.61 0.764 . . . . 0.0 110.664 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -135.15 122.28 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.2 1.0 . . . . 0.0 108.653 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.539 ' HG2' HD12 ' C' ' 23' ' ' LEU . 18.8 ttm180 -81.44 114.47 20.2 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.84 131.78 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.63 1.172 . . . . 0.0 109.612 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.0 137.99 14.23 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.17 0.89 . . . . 0.0 112.41 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.18 113.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.676 1.19 . . . . 0.0 108.766 176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -102.89 93.47 5.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.308 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.87 71.09 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.797 0.839 . . . . 0.0 110.52 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -61.89 153.77 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.926 2.417 . . . . 0.0 111.439 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.07 -0.74 2.59 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.93 -28.45 68.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.849 0.86 . . . . 0.0 110.92 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -105.62 140.02 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 123.604 0.762 . . . . 0.0 110.286 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 154.98 21.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 167.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -139.7 123.57 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.56 169.46 21.47 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.406 HH11 HD22 ' D' ' 4' ' ' LEU . 79.1 mtm-85 -72.29 156.09 39.48 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.52 -35.78 74.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.696 0.68 . . . . 0.0 111.44 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.41 -23.82 62.82 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -92.1 -36.12 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.629 0.771 . . . . 0.0 110.393 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.16 -35.81 60.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.991 1.316 . . . . 0.0 112.372 -176.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -58.62 -30.02 66.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.883 0.873 . . . . 0.0 112.243 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.27 -37.44 80.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.621 0.769 . . . . 0.0 111.856 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.529 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.9 mp -69.43 -20.01 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 O-C-N 121.941 -0.474 . . . . 0.0 109.827 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -91.34 -2.95 57.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.411 0.684 . . . . 0.0 112.247 172.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.64 -22.89 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.536 1.134 . . . . 0.0 112.716 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.04 137.34 4.75 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? -110.72 169.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 110.731 -169.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 6.5 t -81.56 -16.28 52.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.55 135.82 25.79 Favored Pre-proline 0 N--CA 1.451 -0.388 0 C-N-CA 123.744 0.818 . . . . 0.0 110.587 173.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.93 -38.43 88.19 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.329 2.686 . . . . 0.0 112.883 171.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.453 -0.29 0 C-N-CA 124.375 1.07 . . . . 0.0 109.886 -170.668 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.466 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -106.29 112.24 25.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.48 1.112 . . . . 0.0 108.741 168.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.466 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -99.97 131.36 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.331 1.052 . . . . 0.0 109.128 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . 0.406 HD22 HH11 ' C' ' 44' ' ' ARG . 29.4 mt -117.99 171.76 7.86 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.564 1.145 . . . . 0.0 110.25 172.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 109.77 10.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.234 169.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -117.4 132.11 56.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.667 1.187 . . . . 0.0 109.362 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -75.77 155.48 35.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.012 0.824 . . . . 0.0 110.819 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.803 HG11 HG12 ' D' ' 25' ' ' VAL . 11.9 m -54.37 137.96 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.507 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.33 -2.78 86.72 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.535 1.064 . . . . 0.0 114.072 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -94.3 178.98 5.45 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.982 1.391 . . . . 0.0 112.241 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 65.2 m -135.04 158.97 42.98 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 50.9 mt -143.36 161.5 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.998 2.519 . . . . 0.0 108.368 -173.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -140.31 152.56 45.95 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.865 0.866 . . . . 0.0 112.522 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -135.93 142.14 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.74 1.216 . . . . 0.0 109.295 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.29 -138.27 49.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -123.39 9.91 9.15 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.274 1.029 . . . . 0.0 111.286 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.65 -11.29 3.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.927 0.891 . . . . 0.0 113.37 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.66 137.5 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.758 0.708 . . . . 0.0 110.591 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -122.57 149.2 44.28 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.471 1.108 . . . . 0.0 109.859 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -132.53 140.3 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.463 1.505 . . . . 0.0 107.871 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -138.56 129.19 26.3 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -176.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.54 87.63 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.73 -32.23 73.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.737 -0.602 . . . . 0.0 111.43 -169.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.65 -167.99 40.34 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 120.674 -0.774 . . . . 0.0 114.19 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.803 HG12 HG11 ' D' ' 8' ' ' VAL . 10.2 p -139.57 134.36 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.963 1.305 . . . . 0.0 110.138 -170.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -144.26 100.56 3.56 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.976 0.91 . . . . 0.0 109.448 -171.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.2 -119.35 15.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.3 mp0 -100.49 -3.36 30.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.594 0.757 . . . . 0.0 111.286 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.434 HE22 ' H41' ' G' ' 4' ' ' ' C' . 25.5 mt-30 -77.35 156.67 31.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.656 0.741 . . . . 0.0 112.026 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -136.19 125.06 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 114.381 -1.281 . . . . 0.0 108.376 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -83.14 114.26 21.2 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.114 0.566 . . . . 0.0 109.586 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -118.1 116.63 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.731 0.812 . . . . 0.0 109.389 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.79 135.47 12.87 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.089 0.852 . . . . 0.0 111.048 174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.87 138.82 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.015 0.926 . . . . 0.0 108.733 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.03 90.03 2.45 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.779 -0.576 . . . . 0.0 109.84 -173.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.79 157.92 55.9 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.413 1.085 . . . . 0.0 109.944 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 154.01 72.09 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.41 2.073 . . . . 0.0 110.905 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.53 -0.93 9.47 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.0 -20.91 66.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.337 1.055 . . . . 0.0 111.047 167.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -128.03 159.93 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.356 1.062 . . . . 0.0 110.862 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.49 157.1 16.67 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.448 0.699 . . . . 0.0 112.084 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.68 126.15 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 O-C-N 122.043 -0.411 . . . . 0.0 110.085 168.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -149.81 165.13 33.41 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.444 0.698 . . . . 0.0 111.824 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -62.51 157.81 19.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.898 0.479 . . . . 0.0 109.987 168.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -58.11 -38.01 75.67 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.748 0.419 . . . . 0.0 111.421 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.84 -19.8 64.27 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.869 0.868 . . . . 0.0 113.275 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mm -98.64 -41.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.424 1.09 . . . . 0.0 111.061 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -47.08 -39.51 13.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.6 1.56 . . . . 0.0 112.392 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -57.87 -21.0 40.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.706 1.202 . . . . 0.0 113.631 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -87.0 -44.35 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.904 0.881 . . . . 0.0 110.564 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.623 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.7 mp -67.7 -18.9 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.228 1.011 . . . . 0.0 111.242 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -98.85 -5.68 30.51 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.1 -48.7 3.02 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.79 -0.55 1.09 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.184 0.897 . . . . 0.0 113.201 -171.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 65.97 58.85 0.73 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.182 1.793 . . . . 0.0 111.927 166.12 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 50.4 p -70.67 -22.45 62.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.006 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.405 ' HB2' " H2'" ' G' ' 7' ' ' ' C' . . . -119.38 93.99 47.84 Favored Pre-proline 0 N--CA 1.45 -0.429 0 C-N-CA 124.508 1.123 . . . . 0.0 109.924 171.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.39 -171.72 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.807 3.005 . . . . 0.0 112.45 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.72 169.86 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ttt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tt -134.98 123.02 22.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 109.409 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.77 138.1 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.142 0.977 . . . . 0.0 109.742 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -132.39 164.32 26.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.613 1.565 . . . . 0.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -137.54 99.17 3.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 168.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -114.6 143.38 45.1 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.584 1.154 . . . . 0.0 112.616 -168.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -83.2 159.51 21.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.231 0.613 . . . . 0.0 111.48 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -59.95 136.31 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.365 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.55 -4.35 85.14 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.289 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.31 165.36 14.45 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 119.034 1.417 . . . . 0.0 111.786 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -131.94 157.4 44.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.547 0.689 . . . . 0.0 112.352 -169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 35.2 mt -141.88 157.61 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 126.062 1.745 . . . . 0.0 108.113 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.88 148.76 44.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -137.51 139.31 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.915 1.286 . . . . 0.0 109.186 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.26 -134.79 48.37 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.33 9.95 6.73 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.032 0.933 . . . . 0.0 111.727 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -136.66 -5.59 1.97 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -170.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.84 135.76 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 118.908 0.776 . . . . 0.0 110.778 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -129.08 143.22 50.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.146 . . . . 0.0 109.971 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -123.02 142.15 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.53 1.532 . . . . 0.0 107.991 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -138.96 128.58 24.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.782 0.433 . . . . 0.0 110.216 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -76.74 112.5 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.3 -34.54 48.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.545 0.338 . . . . 0.0 110.357 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.55 -177.5 35.16 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.257 0.456 . . . . 0.0 113.199 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.55 157.83 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.372 0.669 . . . . 0.0 112.256 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -150.02 95.46 2.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.602 1.161 . . . . 0.0 109.078 169.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.75 -117.8 8.46 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.43 -21.05 22.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.35 0.575 . . . . 0.0 111.558 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.63 142.29 42.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.673 0.749 . . . . 0.0 110.75 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.84 115.25 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -172.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -87.98 122.25 31.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -129.45 130.69 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.871 0.869 . . . . 0.0 110.448 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 143.34 16.63 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.354 0.978 . . . . 0.0 111.83 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.6 mt -134.03 128.32 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.192 1.397 . . . . 0.0 108.834 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.9 100.8 5.81 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 155.3 74.7 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.493 1.117 . . . . 0.0 110.548 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.99 157.12 45.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.838 2.358 . . . . 0.0 112.031 172.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.98 -0.9 10.35 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.03 -23.46 66.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.53 1.132 . . . . 0.0 111.848 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -120.78 158.32 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.069 0.948 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 158.05 15.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.072 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.0 125.9 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.928 0.491 . . . . 0.0 110.201 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -150.45 168.55 23.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.379 1.072 . . . . 0.0 110.125 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -75.78 161.81 28.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.498 0.59 . . . . 0.0 109.581 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -61.59 -21.66 64.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.051 0.54 . . . . 0.0 112.195 -172.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.53 -45.87 74.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.233 1.013 . . . . 0.0 111.455 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -29.67 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.636 0.775 . . . . 0.0 110.014 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -55.78 -38.45 69.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.926 -0.484 . . . . 0.0 111.983 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -70.82 -21.94 62.4 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -68.36 -29.43 68.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.648 0.658 . . . . 0.0 109.796 172.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.896 ' HA ' HD12 ' E' ' 55' ' ' LEU . 80.1 mt -91.28 -36.77 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.163 0.985 . . . . 0.0 110.77 -170.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.462 ' NE2' HG22 ' E' ' 51' ' ' ILE . 30.1 mm-40 -75.85 2.98 10.93 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.754 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.16 -18.64 63.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.472 1.109 . . . . 0.0 111.361 167.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.69 58.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.745 0.688 . . . . 0.0 113.54 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.896 HD12 ' HA ' ' E' ' 51' ' ' ILE . 81.5 mt -127.12 -15.76 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -59.29 -26.83 65.31 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.439 0.563 . . . . 0.0 112.295 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.82 128.41 26.02 Favored Pre-proline 0 N--CA 1.451 -0.42 0 C-N-CA 124.498 1.119 . . . . 0.0 108.93 168.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -57.12 147.45 75.52 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.923 2.416 . . . . 0.0 112.905 173.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 168.632 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.942 -0.075 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.57 150.02 20.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.093 -0.38 . . . . 0.0 111.511 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.84 134.27 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -126.56 163.22 23.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.079 . . . . 0.0 109.72 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.61 97.6 5.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 109.701 169.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.89 132.39 51.19 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.612 1.565 . . . . 0.0 109.404 -171.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -97.15 165.39 12.08 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 119.677 1.126 . . . . 0.0 112.927 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.0 m -56.09 136.2 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.504 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.1 80.35 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.314 0.959 . . . . 0.0 114.165 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -94.0 167.65 11.46 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.613 1.207 . . . . 0.0 111.697 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -131.6 157.19 44.3 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -169.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 47.8 mt -139.13 156.53 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.323 1.849 . . . . 0.0 108.256 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -128.64 149.29 50.72 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.614 0.766 . . . . 0.0 112.261 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -135.44 144.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.781 1.233 . . . . 0.0 109.045 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.51 -132.1 51.49 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -129.13 9.95 5.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.431 0.692 . . . . 0.0 111.837 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -136.22 -10.66 1.96 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -170.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.66 137.66 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.609 0.64 . . . . 0.0 110.345 -174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -125.98 141.45 51.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 110.004 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -122.1 140.01 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.357 1.463 . . . . 0.0 108.405 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -133.75 129.42 36.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.402 0.681 . . . . 0.0 109.912 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.89 108.45 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.67 -28.45 36.78 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.134 0.573 . . . . 0.0 111.129 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -176.31 32.81 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 123.53 0.586 . . . . 0.0 112.92 169.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.37 154.04 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.162 0.585 . . . . 0.0 111.816 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -147.24 90.0 1.84 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.816 1.246 . . . . 0.0 108.707 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.03 -126.39 34.0 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -79.43 -16.72 55.67 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.05 141.92 30.81 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.583 0.706 . . . . 0.0 110.446 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 52.6 t -128.73 119.78 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -87.0 126.91 35.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.468 0.707 . . . . 0.0 109.303 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -134.58 142.19 41.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 124.037 0.935 . . . . 0.0 110.162 -168.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.08 138.53 13.59 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.101 0.858 . . . . 0.0 111.189 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.4 mt -126.4 137.47 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.212 1.005 . . . . 0.0 109.259 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -133.53 105.59 6.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.576 0.75 . . . . 0.0 109.674 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.4 158.85 74.12 Favored Pre-proline 0 N--CA 1.454 -0.225 0 C-N-CA 124.19 0.996 . . . . 0.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.28 162.21 31.08 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.928 2.419 . . . . 0.0 112.131 172.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.81 -13.11 29.42 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.126 0.97 . . . . 0.0 112.464 169.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.98 -19.55 66.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.497 1.519 . . . . 0.0 112.309 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -130.67 160.56 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.15 0.98 . . . . 0.0 110.929 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.44 162.89 13.47 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.127 0.571 . . . . 0.0 111.244 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.05 125.91 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.529 0.732 . . . . 0.0 110.26 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -153.65 177.08 11.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.211 1.004 . . . . 0.0 110.244 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -80.85 163.97 23.02 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.731 -0.605 . . . . 0.0 110.178 169.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.49 -29.01 68.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.089 0.556 . . . . 0.0 112.46 -169.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.32 -53.58 56.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.451 0.701 . . . . 0.0 110.966 172.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.4 mm -78.29 -31.62 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.361 0.664 . . . . 0.0 109.986 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -51.0 -37.44 45.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.258 1.023 . . . . 0.0 112.772 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.82 -21.87 61.46 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.992 0.917 . . . . 0.0 112.645 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.64 -47.17 49.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 118.633 0.652 . . . . 0.0 109.501 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.483 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.8 mp -67.24 -23.85 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.927 0.891 . . . . 0.0 110.564 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -85.28 -55.88 3.81 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 169.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.04 -5.61 15.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -166.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.96 59.7 0.32 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 108.559 -1.816 . . . . 0.0 108.559 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.667 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.4 OUTLIER -49.66 141.72 9.39 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.047 1.739 . . . . 0.0 113.67 -165.028 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -87.16 146.22 26.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.416 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 42.26 76.04 0.56 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 125.767 1.627 . . . . 0.0 113.303 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.37 176.17 1.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.64 2.893 . . . . 0.0 114.478 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t0 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 124.732 1.213 . . . . 0.0 112.63 178.631 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 O4'-C1'-N19 111.039 2.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C4'-C3'-C2' 99.146 -3.554 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 112.417 4.217 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.434 ' H41' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O4'-C1'-N19 111.798 3.598 . 0.299 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 O4'-C1'-N19 111.417 3.217 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 C5'-C4'-O4' 114.814 4.01 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.405 " H2'" ' HB2' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 110.13 -3.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 C3'-C2'-C1' 104.368 3.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 0 O5'-C5'-C4' 113.135 2.096 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C5'-C4'-C3' 110.101 -3.599 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 O5'-C5'-C4' 113.975 2.697 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.455 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-C3' 111.333 -2.778 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 C5'-C4'-C3' 108.124 -4.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C4'-C3'-C2' 100.274 -2.426 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.684 3.484 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 110.749 2.549 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.405 -4.064 . 0.595 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 1 O4'-C1'-N19 114.621 6.421 . 0.623 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 1 C1'-O4'-C4' 105.476 -4.583 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 1 O4'-C1'-N19 113.386 5.186 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 2 O4'-C1'-N19 112.569 4.369 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C5'-C4'-C3' 111.609 -2.594 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.54 4.34 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 112.195 3.995 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 N19-C1'-C2' 108.822 -2.861 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.003 2.803 . 0.594 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C5'-C4'-C3' 111.757 -2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C5'-C4'-C3' 111.929 -2.381 . 0.061 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.389 -2.74 OUTLIER-DELTA 0.014 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.04 -2.66 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.207 3.007 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.415 4.215 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.28 -3.42 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C4'-C3'-C2' 99.492 -3.208 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.834 3.634 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 113.289 5.089 . 0.447 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.942 -2.372 . 0.241 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 C3'-C2'-C1' 103.302 2.002 . 0.286 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 O4'-C1'-N19 112.579 4.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 1 C5'-C4'-C3' 109.211 -4.193 . 0.039 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 1 O4'-C1'-N19 112.567 4.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 110.996 -3.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 111.942 3.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.602 4.402 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.608 -3.092 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-O4' 113.16 2.828 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 0 C3'-C2'-C1' 104.805 3.672 . 0.087 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C5'-C4'-C3' 111.608 -2.595 . 0.284 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.43 0 C5'-C4'-C3' 111.53 -2.647 . 0.457 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.422 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 O5'-C5'-C4' 117.294 5.067 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 C5'-C4'-C3' 111.814 -2.457 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.282 4.082 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.065 -2.635 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.588 3.388 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 110.854 -3.098 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 115.944 7.744 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.869 3.669 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.177 2.977 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.425 3.225 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.644 3.444 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 C5'-C4'-C3' 111.468 -2.688 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 98.881 -3.819 . 0.012 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C3'-C2'-C1' 104.499 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C5'-C4'-C3' 109.531 -3.979 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 C5'-C4'-C3' 105.885 -6.41 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 P-O3'-C3' 125.455 4.796 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 N19-C1'-C2' 109.21 -2.619 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.213 4.013 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.355 3.155 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 1 O4'-C1'-N19 113.511 5.311 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.56 109.43 21.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.172 0.589 . . . . 0.0 109.816 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG21 ' HD3' ' B' ' 31' ' ' ARG . 2.0 mp -91.0 140.58 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.251 0.621 . . . . 0.0 110.124 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -133.3 147.78 51.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.864 0.866 . . . . 0.0 108.732 167.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -120.18 100.81 7.41 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 6' ' ' ARG . 18.4 mmm180 -125.95 153.66 43.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.297 0.57 . . . . 0.0 110.611 -169.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -105.03 159.82 15.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.415 1.086 . . . . 0.0 110.512 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' HA2' ' A' ' 24' ' ' GLY . 62.1 t -46.2 120.77 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 110.637 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.39 -4.22 56.81 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.528 1.061 . . . . 0.0 114.582 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -94.4 162.96 13.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 119.035 1.417 . . . . 0.0 112.146 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -132.13 147.77 52.45 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -168.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.7 mm -111.39 157.55 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 125.784 1.634 . . . . 0.0 110.055 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -134.37 140.14 46.11 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.951 0.901 . . . . 0.0 111.108 174.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 mt -140.08 125.29 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.555 1.142 . . . . 0.0 110.749 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.3 -121.64 23.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 115.869 1.107 . . . . 0.0 115.869 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.03 -3.74 46.68 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -165.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 152.48 5.65 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 128.148 2.579 . . . . 0.0 112.129 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.97 126.42 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 O-C-N 120.889 -1.132 . . . . 0.0 109.01 -172.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -118.93 133.08 56.06 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -112.93 143.92 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -136.14 133.13 36.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.187 0.595 . . . . 0.0 110.003 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.2 100.04 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.418 -1.326 . . . . 0.0 107.418 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -30.74 61.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.81 -0.556 . . . . 0.0 111.293 -169.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.73 -170.38 43.48 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.992 0.36 . . . . 0.0 113.593 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.39 146.94 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.927 0.891 . . . . 0.0 111.051 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 m -141.72 60.94 1.47 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.636 1.174 . . . . 0.0 110.412 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.6 -126.21 7.78 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -76.97 -14.71 59.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.272 0.629 . . . . 0.0 111.672 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -99.76 151.7 20.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.4 t -133.07 139.18 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 127.977 2.511 . . . . 0.0 108.15 -169.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -111.57 103.13 11.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.974 0.91 . . . . 0.0 110.41 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.93 137.97 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.427 1.091 . . . . 0.0 110.396 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.24 142.97 16.07 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.436 1.017 . . . . 0.0 112.014 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.04 136.35 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.669 1.588 . . . . 0.0 108.418 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.9 75.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.357 1.063 . . . . 0.0 109.271 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.14 152.38 39.72 Favored Pre-proline 0 N--CA 1.452 -0.328 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.58 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.99 152.27 68.07 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.404 2.069 . . . . 0.0 110.131 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.5 -4.84 16.45 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.62 -25.63 65.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.96 0.904 . . . . 0.0 112.091 169.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.49 144.1 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.015 0.912 . . . . 0.0 112.076 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.85 143.08 36.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.77 1.228 . . . . 0.0 111.61 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.07 117.38 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 C-N-CA 123.451 0.701 . . . . 0.0 109.517 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 78.2 m-70 -150.31 158.49 44.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.7 ptm85 -80.87 152.85 27.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.782 0.833 . . . . 0.0 112.115 174.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.65 -33.34 75.4 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.493 0.717 . . . . 0.0 112.175 -174.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.35 -14.69 57.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.999 0.919 . . . . 0.0 112.977 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.67 -22.75 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 125.222 1.409 . . . . 0.0 111.121 -173.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -63.07 -29.89 71.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.35 -0.844 . . . . 0.0 110.475 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -72.76 -14.84 61.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.815 0.846 . . . . 0.0 111.753 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -79.34 -31.69 43.12 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.378 1.071 . . . . 0.0 110.883 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' NE2' ' A' ' 52' ' ' GLN . 33.7 mt -68.03 -51.17 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.88 0.872 . . . . 0.0 109.216 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' NE2' HG22 ' A' ' 51' ' ' ILE . 87.2 mm-40 -84.07 5.21 26.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.249 0.619 . . . . 0.0 111.9 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.6 70.32 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.22 0.608 . . . . 0.0 111.343 168.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.51 18.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.621 0.629 . . . . 0.0 113.788 171.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 51' ' ' ILE . 13.7 mt -100.47 90.99 4.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.255 1.027 . . . . 0.0 108.708 -173.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t 115.19 127.85 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 129.836 3.254 . . . . 0.0 111.17 -169.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.12 157.76 44.34 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.643 1.177 . . . . 0.0 111.074 170.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -75.17 163.26 35.29 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.055 2.503 . . . . 0.0 112.229 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.9 t0 . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 124.771 1.228 . . . . 0.0 111.638 178.301 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.71 119.46 39.19 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.209 1.404 . . . . 0.0 107.449 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.408 HD11 " H5'" ' G' ' 52' ' ' ' A' . 52.1 mt -116.51 138.55 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -166.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.12 135.89 47.89 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.632 1.173 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -106.26 110.25 22.43 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.417 ' HD2' HD11 ' B' ' 12' ' ' ILE . 16.6 mtm-85 -124.96 166.45 16.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.545 1.138 . . . . 0.0 110.691 -169.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -109.64 155.79 21.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.798 0.439 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.415 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.1 m -54.44 126.78 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.292 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.94 -13.45 45.38 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.03 -0.872 . . . . 0.0 115.145 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -74.88 154.35 38.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 119.395 1.597 . . . . 0.0 112.667 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -125.79 144.6 50.57 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.357 1.063 . . . . 0.0 111.499 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.417 HD11 ' HD2' ' B' ' 6' ' ' ARG . 46.5 mm -132.85 151.35 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 126.429 1.891 . . . . 0.0 108.86 -174.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -126.16 140.92 52.18 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.323 1.049 . . . . 0.0 110.663 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -131.71 132.32 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 123.982 0.913 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 -134.19 51.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -123.29 2.27 9.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.603 0.761 . . . . 0.0 112.064 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -123.75 -16.38 6.69 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.787 0.835 . . . . 0.0 113.202 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.35 136.24 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.74 0.7 . . . . 0.0 110.531 -172.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -130.54 149.34 52.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.481 1.112 . . . . 0.0 109.86 169.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 mm -129.55 145.65 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.363 1.865 . . . . 0.0 107.81 -175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -140.58 130.12 24.08 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.765 0.426 . . . . 0.0 110.328 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.11 114.8 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 168.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.591 HD13 " H1'" ' G' ' 30' ' ' ' C' . 33.1 mt -87.35 -30.14 21.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.042 -0.411 . . . . 0.0 111.133 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 157.2 175.96 28.72 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-O 120.861 0.145 . . . . 0.0 112.874 170.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.11 153.55 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.344 0.592 . . . . 0.0 111.057 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -137.24 74.06 1.47 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.938 1.295 . . . . 0.0 108.506 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 -117.37 4.47 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.426 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -106.89 16.41 24.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.347 0.594 . . . . 0.0 111.243 169.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -98.92 157.51 16.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.74 1.216 . . . . 0.0 109.345 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -142.44 114.79 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.794 0.437 . . . . 0.0 110.108 -169.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.4 ' HD3' HG21 ' A' ' 3' ' ' ILE . 35.9 ttm180 -84.52 124.7 31.68 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.327 0.512 . . . . 0.0 110.738 174.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.75 130.42 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.282 1.433 . . . . 0.0 109.161 -173.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.39 15.51 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 123.611 0.624 . . . . 0.0 111.608 172.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.06 132.64 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 124.001 0.92 . . . . 0.0 109.05 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -133.06 74.89 1.59 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.473 -1.239 . . . . 0.0 109.297 -168.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.46 157.64 53.35 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.564 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.14 157.35 35.17 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.915 1.743 . . . . 0.0 111.311 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -68.41 -0.68 5.2 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.018 0.927 . . . . 0.0 112.199 169.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.91 -25.78 67.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.223 1.409 . . . . 0.0 111.359 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.71 144.13 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.443 1.097 . . . . 0.0 110.263 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.82 141.8 28.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.665 0.745 . . . . 0.0 111.373 169.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -141.88 98.85 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.755 -166.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.92 157.21 43.9 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.075 0.465 . . . . 0.0 111.695 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 22.7 ptt-85 -65.54 157.79 28.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.107 0.563 . . . . 0.0 111.732 171.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -55.62 -41.54 73.64 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 123.207 0.603 . . . . 0.0 112.148 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.67 -3.91 10.51 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.27 -51.27 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.586 1.154 . . . . 0.0 109.846 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -50.6 -36.74 36.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.325 1.45 . . . . 0.0 112.314 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.93 -22.95 64.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -174.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.23 -40.39 27.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 118.737 0.699 . . . . 0.0 110.501 171.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' NE2' ' B' ' 52' ' ' GLN . 96.6 mt -64.82 -39.61 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.486 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.0 mm-40 -80.28 4.94 16.08 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.85 -17.97 45.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.237 0.615 . . . . 0.0 112.093 169.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.14 48.48 0.09 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-O 119.599 -0.556 . . . . 0.0 114.123 169.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.63 -177.36 3.08 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.68 0.74 . . . . 0.0 112.699 -168.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.479 HG22 ' H ' ' B' ' 57' ' ' ALA . 7.2 m -124.76 174.93 7.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.321 1.448 . . . . 0.0 108.635 168.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.479 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.95 119.41 0.68 Allowed Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 125.227 1.411 . . . . 0.0 111.849 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.9 Cg_exo -67.17 178.88 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.53 2.153 . . . . 0.0 113.949 -169.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 112.73 176.535 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpp . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.86 107.51 15.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 167.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.93 135.61 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.888 0.875 . . . . 0.0 109.846 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -128.23 134.98 49.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.021 0.928 . . . . 0.0 109.231 168.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.1 p -95.3 124.82 39.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.27 0.628 . . . . 0.0 109.836 169.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 13.5 mmm180 -123.81 145.02 49.36 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.811 0.278 . . . . 0.0 110.964 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.2 tptm -80.01 157.4 26.79 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.97 139.73 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 O-C-N 121.168 -0.958 . . . . 0.0 112.042 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.67 -2.6 84.67 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.71 1.148 . . . . 0.0 114.037 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.434 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 64.5 mm-40 -89.67 167.68 12.73 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.823 1.312 . . . . 0.0 112.689 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -128.15 158.06 39.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.867 0.867 . . . . 0.0 113.169 -170.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt -142.81 161.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 126.893 2.077 . . . . 0.0 108.025 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -134.44 146.56 49.92 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.177 0.991 . . . . 0.0 111.82 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.06 143.73 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.63 1.172 . . . . 0.0 108.934 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.01 -140.41 44.75 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 123.709 0.671 . . . . 0.0 111.66 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.37 8.76 12.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.167 0.987 . . . . 0.0 111.156 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -133.19 -12.55 2.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.27 138.53 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.849 0.749 . . . . 0.0 110.879 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.8 m -125.24 142.39 51.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.671 1.189 . . . . 0.0 109.282 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -122.09 145.26 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.655 1.182 . . . . 0.0 108.178 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -137.82 129.65 28.54 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 122.691 0.397 . . . . 0.0 110.121 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.11 115.08 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 168.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' C' ' 31' ' ' ARG . 7.4 mt -89.53 -35.87 15.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.922 -0.486 . . . . 0.0 109.94 -174.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.65 178.46 40.26 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 113.933 0.333 . . . . 0.0 113.933 168.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.05 154.4 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 123.77 0.828 . . . . 0.0 110.268 172.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -151.93 108.35 3.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 169.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -132.31 23.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.04 1.07 57.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.059 0.944 . . . . 0.0 111.946 170.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 151.01 23.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.288 1.035 . . . . 0.0 110.66 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 t -134.01 125.59 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.763 0.825 . . . . 0.0 108.98 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.534 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.6 ttm180 -84.39 114.0 21.58 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -120.31 127.09 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 109.395 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.0 135.72 12.29 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.939 0.78 . . . . 0.0 111.873 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -121.79 127.86 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.385 1.074 . . . . 0.0 108.568 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -129.07 89.95 2.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.846 -0.534 . . . . 0.0 110.288 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.16 156.98 73.71 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 124.611 1.164 . . . . 0.0 110.22 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -62.74 151.88 81.43 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.558 2.172 . . . . 0.0 111.087 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -65.39 -1.07 2.18 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.579 0.751 . . . . 0.0 112.675 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.78 -22.31 66.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 111.337 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -123.71 147.9 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.23 1.012 . . . . 0.0 110.508 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.02 22.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 122.786 0.435 . . . . 0.0 111.29 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.96 130.31 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.126 0.57 . . . . 0.0 109.489 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -154.41 164.03 39.26 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.454 0.702 . . . . 0.0 111.263 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -80.88 160.28 24.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 166.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -60.56 -32.57 71.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.033 0.533 . . . . 0.0 112.252 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.69 -44.02 76.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.85 0.86 . . . . 0.0 111.743 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -90.75 -30.11 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.534 0.733 . . . . 0.0 110.72 -172.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -51.63 -35.96 44.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.755 0.822 . . . . 0.0 112.336 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -60.17 -30.52 69.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.427 0.691 . . . . 0.0 112.353 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.52 -36.63 76.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.536 0.734 . . . . 0.0 111.689 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.21 -18.99 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.121 -0.362 . . . . 0.0 110.156 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -97.41 2.02 49.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.018 0.927 . . . . 0.0 113.112 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.07 -5.03 58.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.46 115.63 1.99 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' C' ' 57' ' ' ALA . 1.2 pt? -160.08 -176.48 5.69 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.216 1.007 . . . . 0.0 111.632 -168.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -72.44 -0.91 13.83 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.469 1.108 . . . . 0.0 113.918 -172.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.411 ' H ' ' HG ' ' C' ' 55' ' ' LEU . . . -125.85 86.0 58.33 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 124.071 0.948 . . . . 0.0 110.731 169.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -69.31 -179.78 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.276 2.651 . . . . 0.0 113.592 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.452 -0.328 0 C-N-CA 124.276 1.03 . . . . 0.0 112.195 172.635 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.474 ' HG2' HD11 ' D' ' 3' ' ' ILE . 6.6 tpp . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.41 107.13 9.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.234 2.614 . . . . 0.0 106.191 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -96.59 135.0 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.524 1.13 . . . . 0.0 109.471 -173.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.36 166.97 12.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.713 1.205 . . . . 0.0 111.129 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.41 109.91 15.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 107.957 168.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -122.14 129.5 52.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 109.975 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -73.94 153.36 39.81 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 111.062 171.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.761 HG11 HG12 ' D' ' 25' ' ' VAL . 15.6 m -57.38 139.07 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.365 0.602 . . . . 0.0 112.578 173.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.32 -6.34 83.45 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.643 1.116 . . . . 0.0 113.833 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.38 178.41 5.97 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.943 1.371 . . . . 0.0 112.579 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -131.13 156.33 45.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.737 0.815 . . . . 0.0 113.114 -169.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 57.0 mt -143.38 161.43 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.835 2.454 . . . . 0.0 108.782 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -140.28 152.23 45.73 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.377 -0.827 . . . . 0.0 112.482 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.16 139.26 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.782 1.233 . . . . 0.0 109.184 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.3 -135.7 51.38 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.78 10.05 5.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.059 0.943 . . . . 0.0 112.417 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -124.32 -14.53 6.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.934 0.894 . . . . 0.0 113.255 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.04 136.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.834 0.743 . . . . 0.0 110.881 -169.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -120.56 149.04 43.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.417 1.087 . . . . 0.0 109.706 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.5 142.92 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.312 1.445 . . . . 0.0 107.737 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -141.01 129.32 22.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.706 -0.622 . . . . 0.0 109.881 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -88.29 86.16 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.22 -32.21 73.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 121.821 -0.55 . . . . 0.0 111.753 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.93 -168.06 40.5 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.572 -0.823 . . . . 0.0 114.524 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.761 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -142.85 134.56 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.063 1.345 . . . . 0.0 110.246 -169.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 63.4 m -145.94 99.25 3.23 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.043 0.937 . . . . 0.0 109.818 -170.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -119.71 13.72 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.438 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.7 mt-30 -97.16 -6.15 35.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.796 0.838 . . . . 0.0 111.038 173.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.47 HE22 ' H41' ' G' ' 4' ' ' ' C' . 37.2 mt-30 -80.2 159.98 25.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 112.573 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.98 124.37 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.588 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.37 113.98 18.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.85 115.97 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.662 0.785 . . . . 0.0 109.167 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.07 133.4 11.73 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 40.4 mt -122.71 138.64 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.953 0.901 . . . . 0.0 108.646 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -138.04 89.9 2.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.29 157.26 51.67 Favored Pre-proline 0 N--CA 1.451 -0.414 0 C-N-CA 124.681 1.193 . . . . 0.0 109.503 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.0 149.72 87.64 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 121.947 1.765 . . . . 0.0 110.41 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -68.65 -1.0 5.91 Favored 'General case' 0 CA--C 1.527 0.069 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.99 -23.94 66.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.926 1.291 . . . . 0.0 111.599 168.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.05 160.06 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.078 0.951 . . . . 0.0 110.879 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.96 157.09 16.06 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.464 0.706 . . . . 0.0 112.384 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.61 127.01 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 O-C-N 121.901 -0.5 . . . . 0.0 109.968 168.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -151.21 165.55 33.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.395 0.678 . . . . 0.0 111.991 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.56 158.19 18.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.267 0.627 . . . . 0.0 109.803 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.77 -36.73 79.7 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 121.722 -0.611 . . . . 0.0 111.305 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.25 -17.01 64.62 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -102.12 -40.59 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.021 0.928 . . . . 0.0 110.968 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -46.6 -39.83 11.81 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.344 1.458 . . . . 0.0 112.088 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.79 -26.09 67.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.828 1.251 . . . . 0.0 113.515 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.41 26.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.557 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.2 mp -60.69 -33.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.095 0.558 . . . . 0.0 110.303 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.465 HE22 HG22 ' D' ' 51' ' ' ILE . 1.2 mm-40 -83.29 0.39 45.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.013 0.525 . . . . 0.0 111.845 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.5 -4.31 59.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.461 1.105 . . . . 0.0 112.32 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.04 47.66 0.65 Allowed Glycine 0 CA--C 1.525 0.716 0 CA-C-N 118.418 0.554 . . . . 0.0 113.736 169.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -162.78 178.84 8.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.824 0.812 . . . . 0.0 112.003 -169.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -154.2 100.45 2.31 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.747 1.219 . . . . 0.0 108.402 166.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.05 79.46 0.32 Allowed Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 126.074 1.75 . . . . 0.0 113.642 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.78 146.0 87.75 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.994 3.129 . . . . 0.0 113.429 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.454 -0.231 0 C-N-CA 126.055 1.742 . . . . 0.0 114.219 173.541 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.83 134.6 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.977 0.911 . . . . 0.0 110.033 -173.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.02 127.05 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 158.01 26.51 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.797 1.639 . . . . 0.0 110.129 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.509 HG22 ' HG3' ' F' ' 29' ' ' GLN . 1.5 m -127.12 132.72 50.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 168.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -142.06 134.82 28.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.324 0.65 . . . . 0.0 111.367 -168.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.63 161.31 14.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 122.755 0.422 . . . . 0.0 111.311 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . 0.609 HG11 HG12 ' E' ' 25' ' ' VAL . 10.5 m -57.77 139.71 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.984 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.11 -3.57 86.95 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.163 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.5 172.98 8.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.695 1.247 . . . . 0.0 111.493 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 51.5 m -137.06 156.8 47.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.47 155.34 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 126.631 1.972 . . . . 0.0 108.563 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -133.72 151.04 51.52 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -136.88 137.56 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.732 1.213 . . . . 0.0 109.047 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.95 -136.76 49.8 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -124.68 9.96 8.36 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.176 0.991 . . . . 0.0 111.624 174.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.65 -7.38 1.47 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.69 135.36 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.988 0.813 . . . . 0.0 110.811 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -127.87 142.72 51.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.535 1.134 . . . . 0.0 110.062 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.21 137.32 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.501 . . . . 0.0 108.317 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -131.98 128.24 37.99 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.228 0.611 . . . . 0.0 109.79 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.51 103.54 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.74 -32.18 67.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.985 -0.447 . . . . 0.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.4 -176.03 40.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 113.852 0.301 . . . . 0.0 113.852 169.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.609 HG12 HG11 ' E' ' 8' ' ' VAL . 7.8 p -138.43 134.21 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.55 1.14 . . . . 0.0 111.658 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -149.99 110.04 4.13 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.835 1.254 . . . . 0.0 110.287 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.57 -124.2 23.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -89.81 -14.72 33.87 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.341 0.571 . . . . 0.0 111.773 170.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.08 148.91 27.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.215 1.007 . . . . 0.0 111.927 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.24 111.73 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -87.01 123.63 32.32 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -128.08 130.65 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.879 0.871 . . . . 0.0 110.427 -168.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.72 143.06 16.41 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.391 0.996 . . . . 0.0 111.464 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.6 mt -134.44 126.55 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.746 1.219 . . . . 0.0 108.978 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -126.27 100.9 6.5 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.01 0.524 . . . . 0.0 109.589 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 154.89 73.52 Favored Pre-proline 0 N--CA 1.452 -0.349 0 C-N-CA 124.389 1.076 . . . . 0.0 110.541 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.72 158.89 39.77 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.866 2.377 . . . . 0.0 112.15 172.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -72.64 -0.97 14.46 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 171.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.11 -21.35 66.35 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.274 1.03 . . . . 0.0 111.377 168.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.84 158.6 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.358 1.063 . . . . 0.0 110.526 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.19 158.86 15.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.04 129.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.092 0.557 . . . . 0.0 110.511 171.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -151.82 170.44 19.78 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.933 0.893 . . . . 0.0 111.31 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -80.47 161.1 25.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 168.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.16 -18.49 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -169.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.55 -53.98 49.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.263 0.625 . . . . 0.0 110.42 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.34 -38.8 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.121 0.568 . . . . 0.0 109.579 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.32 -35.32 50.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.143 0.977 . . . . 0.0 112.652 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.16 -21.96 65.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.422 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -71.81 -47.45 53.22 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.601 0.637 . . . . 0.0 109.751 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.484 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -63.19 -23.6 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.227 1.411 . . . . 0.0 110.515 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -85.26 -43.23 13.94 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 169.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.64 -31.15 10.51 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -166.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.24 -21.62 1.17 Allowed Glycine 0 CA--C 1.525 0.675 0 CA-C-N 118.868 0.758 . . . . 0.0 113.237 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.86 178.42 0.14 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 127.837 2.455 . . . . 0.0 113.061 169.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -92.9 -7.05 47.25 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.95 132.09 18.17 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.256 1.022 . . . . 0.0 110.042 172.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.73 -179.02 1.44 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.918 2.412 . . . . 0.0 113.334 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.455 -0.185 0 C-N-CA 124.635 1.174 . . . . 0.0 112.796 178.488 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.72 149.4 21.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.012 -0.43 . . . . 0.0 111.481 175.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.412 HG22 ' H62' ' G' ' 18' ' ' ' A' . 5.0 mp -131.48 133.92 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -130.94 162.94 28.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.695 1.198 . . . . 0.0 109.876 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -128.81 102.47 6.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 167.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.579 ' HD2' HD11 ' F' ' 12' ' ' ILE . 3.7 mmp_? -104.91 156.07 18.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.859 0.864 . . . . 0.0 109.652 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -114.12 167.56 10.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.72 132.63 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.912 -168.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.04 -11.44 65.83 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.384 0.992 . . . . 0.0 114.326 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -89.59 165.14 14.44 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 118.891 1.346 . . . . 0.0 112.407 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -134.29 151.56 51.33 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.579 HD11 ' HD2' ' F' ' 6' ' ' ARG . 48.4 mm -129.72 154.73 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 127.428 2.291 . . . . 0.0 108.385 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -134.03 146.05 50.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.485 -0.759 . . . . 0.0 111.235 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -135.53 142.54 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.386 1.074 . . . . 0.0 109.256 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.82 -132.3 51.04 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.83 10.09 5.48 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.155 0.982 . . . . 0.0 112.473 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -136.21 -16.17 1.66 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.18 136.95 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.345 0.975 . . . . 0.0 110.823 -171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -133.0 142.5 48.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.197 0.999 . . . . 0.0 110.631 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -123.3 142.68 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 125.96 1.704 . . . . 0.0 108.165 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -138.17 130.16 28.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.945 0.498 . . . . 0.0 110.152 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.05 114.89 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -85.65 -28.96 24.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.567 0.747 . . . . 0.0 110.95 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.47 -177.63 33.36 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 122.832 0.254 . . . . 0.0 113.66 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -120.89 158.44 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 123.561 0.744 . . . . 0.0 112.414 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -149.13 89.95 1.7 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.092 1.357 . . . . 0.0 108.092 168.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.36 -124.4 34.62 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -169.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.15 -17.84 61.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.556 0.742 . . . . 0.0 112.912 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . 0.509 ' HG3' HG22 ' E' ' 5' ' ' THR . 17.7 tt0 -85.54 143.49 28.47 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.59 118.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 125.485 1.514 . . . . 0.0 107.293 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -93.13 127.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.211 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.11 138.62 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.927 0.891 . . . . 0.0 110.761 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 142.26 15.52 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.184 0.897 . . . . 0.0 111.327 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -130.55 133.59 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.616 1.166 . . . . 0.0 109.494 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -132.95 108.36 8.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.655 0.782 . . . . 0.0 109.437 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.84 157.94 76.62 Favored Pre-proline 0 N--CA 1.454 -0.275 0 C-N-CA 123.745 0.818 . . . . 0.0 111.418 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.21 162.14 37.26 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.092 2.528 . . . . 0.0 112.226 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -67.96 -11.85 59.61 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.706 0.802 . . . . 0.0 112.667 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -20.5 66.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.07 1.348 . . . . 0.0 112.686 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.98 165.69 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.741 0.817 . . . . 0.0 111.336 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.43 160.9 14.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.29 0.636 . . . . 0.0 111.729 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 p -154.98 114.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.737 0.815 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -152.28 174.21 14.07 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.851 0.86 . . . . 0.0 110.416 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -79.53 163.6 24.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.733 -0.604 . . . . 0.0 110.342 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -62.32 -25.96 68.17 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.05 0.54 . . . . 0.0 112.358 -172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.86 -44.26 90.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 111.676 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.3 mm -86.62 -28.92 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.553 0.741 . . . . 0.0 109.739 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.524 ' HA ' HG12 ' F' ' 51' ' ' ILE . 69.6 t80 -52.76 -34.22 52.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.919 0.888 . . . . 0.0 112.843 175.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.73 -23.04 66.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.517 0.727 . . . . 0.0 112.366 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -84.46 -22.97 30.11 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.441 0.697 . . . . 0.0 110.937 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' F' ' 48' ' ' TYR . 5.7 mm -68.26 -55.2 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.65 0.78 . . . . 0.0 109.535 172.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.73 3.1 10.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.014 0.925 . . . . 0.0 112.256 -172.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.71 -9.05 56.33 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.441 1.097 . . . . 0.0 113.184 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.09 26.23 0.13 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 115.334 0.893 . . . . 0.0 115.334 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.76 -170.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.462 1.131 . . . . 0.0 111.305 -169.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 13.4 m -124.5 -26.82 3.82 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.343 0.657 . . . . 0.0 112.497 172.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.67 124.36 19.87 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.513 0.725 . . . . 0.0 110.319 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.95 173.55 3.77 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.146 2.564 . . . . 0.0 113.2 173.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 N--CA 1.453 -0.297 0 C-N-CA 124.244 1.017 . . . . 0.0 111.335 173.242 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 O4'-C1'-N19 111.821 3.621 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.428 3.228 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.467 4.267 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.47 ' H41' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.847 3.647 . 0.253 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.111 2.911 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-O4' 114.544 3.817 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C5'-C4'-C3' 110.078 -3.615 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.268 3.075 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 O5'-C5'-C4' 113.336 2.24 . 0.024 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 C5'-C4'-C3' 109.924 -3.717 . 0.206 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 110.992 2.792 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.49 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 111.88 -2.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 1 C5'-C4'-C3' 107.826 -5.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C4'-C3'-C2' 100.201 -2.499 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.703 3.503 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 O4'-C1'-N19 111.165 2.965 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 110.388 -3.408 . 0.462 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . 0.412 ' H62' HG22 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C4'-C3'-C2' 99.754 -2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 2 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 112.122 3.922 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 2 O4'-C1'-N19 112.638 4.438 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 111.351 -2.766 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.604 4.404 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 112.072 3.872 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 N19-C1'-C2' 108.6 -3.0 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 O4'-C1'-N19 111.222 3.022 . 0.636 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 C5'-C4'-C3' 111.962 -2.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 0 C5'-C4'-C3' 112.042 -2.306 . 0.052 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C5'-C4'-C3' 111.271 -2.819 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . 0.591 " H1'" HD13 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 O4'-C1'-N19 111.048 2.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 99.72 -2.98 . 0.01 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.583 3.383 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 O4'-C1'-N19 112.319 4.119 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.206 -3.494 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 99.535 -3.165 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.991 3.791 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 C5'-C4'-C3' 109.614 -3.924 . 0.787 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.429 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-C3' 110.603 -3.265 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.429 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 C3'-C2'-C1' 104.036 2.818 . 0.24 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 1 O4'-C1'-N19 113.248 5.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 1 C5'-C4'-C3' 109.068 -4.288 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 O4'-C1'-N19 112.66 4.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 O4'-C1'-N19 112.857 4.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.856 4.656 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.234 4.034 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 111.181 2.981 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 112.081 3.881 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 1 C3'-C2'-C1' 105.102 4.002 . 0.119 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.414 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C4'-C3'-C2' 99.861 -2.839 . 0.044 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.423 3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.353 0 C5'-C4'-C3' 111.121 -2.92 . 0.408 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.408 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 O5'-C5'-C4' 117.057 4.898 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C5'-C4'-C3' 112.254 -2.164 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.227 4.027 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.173 -2.527 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 111.298 3.098 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C4'-C3' 108.056 1.826 . 0.133 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 O4'-C1'-N19 113.322 5.122 . 0.09 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.41 3.21 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.392 3.192 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 0 C3'-C2'-C1' 104.531 3.368 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.431 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 110.223 -3.518 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 99.988 -2.712 . 0.229 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C3'-C2'-C1' 103.78 2.534 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 0 C5'-C4'-C3' 111.91 -2.394 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.402 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.353 2 C5'-C4'-C3' 105.987 -6.342 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 1 P-O3'-C3' 125.579 4.899 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 0 N19-C1'-C2' 108.928 -2.795 . 0.925 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 112.075 3.875 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O4'-C1'-N19 111.361 3.161 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.664 3.464 . 0.178 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.45 110.69 23.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.601 0.76 . . . . 0.0 109.602 -176.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.35 135.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.125 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.85 158.07 43.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.406 1.082 . . . . 0.0 109.772 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.4 m -119.88 100.96 7.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -108.63 140.88 41.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.134 0.973 . . . . 0.0 110.456 -169.293 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -105.87 155.48 19.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.941 0.337 . . . . 0.0 110.204 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.35 121.95 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.762 0.825 . . . . 0.0 110.584 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.48 -0.55 59.84 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.256 0.932 . . . . 0.0 114.272 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -101.16 166.52 10.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.71 1.255 . . . . 0.0 111.631 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 150.11 51.11 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' HD2' ' A' ' 6' ' ' ARG . 33.1 mm -112.31 155.04 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.722 1.609 . . . . 0.0 109.842 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -123.65 140.51 52.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.854 1.262 . . . . 0.0 110.201 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.6 mt -134.97 134.45 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.162 0.985 . . . . 0.0 109.583 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.9 -129.14 29.59 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.04 2.23 4.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.592 0.757 . . . . 0.0 112.363 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -134.48 -14.14 2.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -170.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.04 137.9 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.785 0.834 . . . . 0.0 110.111 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -136.24 148.23 47.95 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.605 0.762 . . . . 0.0 109.303 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.13 141.85 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.906 1.283 . . . . 0.0 108.053 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 m -138.0 136.03 36.52 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.434 0.561 . . . . 0.0 109.91 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.31 101.14 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.93 58.05 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.664 -0.648 . . . . 0.0 111.39 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.6 -167.95 40.68 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 118.108 0.413 . . . . 0.0 113.331 169.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.47 145.57 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.269 0.628 . . . . 0.0 111.607 -172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -137.36 67.21 1.44 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 110.154 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.55 -127.46 9.12 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -171.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -80.32 -12.31 59.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 17.9 pt20 -98.77 133.05 43.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 122.518 1.152 . . . . 0.0 111.668 174.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.92 127.16 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 126.256 1.822 . . . . 0.0 108.287 -169.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -89.17 101.9 14.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.36 135.75 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.474 1.11 . . . . 0.0 109.395 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.37 141.63 17.1 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.147 0.879 . . . . 0.0 111.934 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.59 140.89 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.442 1.497 . . . . 0.0 108.503 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -129.11 74.99 1.62 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.786 1.234 . . . . 0.0 109.328 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.36 153.95 45.48 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 125.158 1.383 . . . . 0.0 110.775 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.6 155.64 49.73 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.556 2.171 . . . . 0.0 110.7 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -67.33 -5.77 15.77 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.25 -24.68 65.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.036 0.935 . . . . 0.0 112.084 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -120.38 144.1 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.906 0.86 . . . . 0.0 111.886 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.51 143.04 38.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.426 1.091 . . . . 0.0 111.533 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 t -127.37 120.19 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.453 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.1 m-70 -147.82 -176.02 5.1 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.892 0.877 . . . . 0.0 110.514 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.86 167.61 16.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 112.175 171.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.837 0.855 . . . . 0.0 112.334 -173.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -58.53 -25.18 62.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.871 1.268 . . . . 0.0 113.091 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.07 -24.29 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.151 1.38 . . . . 0.0 111.126 -172.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -63.97 -31.54 72.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -174.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -73.16 -14.03 61.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.122 0.969 . . . . 0.0 111.705 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.45 -32.35 29.0 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.75 1.22 . . . . 0.0 111.003 170.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.631 HG22 HE21 ' A' ' 52' ' ' GLN . 36.6 mt -65.53 -52.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.589 0.756 . . . . 0.0 109.056 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.631 HE21 HG22 ' A' ' 51' ' ' ILE . 74.8 mm-40 -84.03 5.15 26.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.987 0.915 . . . . 0.0 112.001 -174.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.02 63.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.176 0.59 . . . . 0.0 111.453 168.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.18 6.13 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 CA-C-O 119.198 -0.779 . . . . 0.0 113.187 171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 56' ' ' THR . 14.3 mt -82.87 90.58 6.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.758 1.279 . . . . 0.0 107.823 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.7 p 163.77 -29.89 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 126.785 2.034 . . . . 0.0 109.533 -169.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 154.09 58.04 Favored Pre-proline 0 N--CA 1.455 -0.203 0 C-N-CA 124.891 1.277 . . . . 0.0 112.844 -169.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.78 158.68 56.17 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 123.068 2.512 . . . . 0.0 112.267 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 111.54 174.257 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -117.16 122.0 42.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 107.499 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.403 ' CD1' " H4'" ' G' ' 52' ' ' ' A' . 41.7 mt -118.68 141.25 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.076 0.55 . . . . 0.0 112.073 -165.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.422 HD23 ' C2 ' ' G' ' 48' ' ' ' A' . 96.3 mt -142.06 135.3 29.04 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.658 1.183 . . . . 0.0 111.176 -174.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -83.33 126.41 32.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 166.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -126.59 116.79 21.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.929 0.492 . . . . 0.0 110.028 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 58.8 tttt -82.7 149.08 27.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -57.28 128.57 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.607 -169.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.68 -6.86 59.11 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.926 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -88.77 167.81 12.99 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.068 1.434 . . . . 0.0 111.862 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -130.13 150.93 51.17 Favored 'General case' 0 C--N 1.338 0.073 0 C-N-CA 123.867 0.867 . . . . 0.0 112.873 -168.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 15.1 mt -132.42 153.69 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 126.502 1.921 . . . . 0.0 109.761 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -136.68 141.2 43.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 121.645 -0.659 . . . . 0.0 111.911 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -134.26 132.42 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.89 0.876 . . . . 0.0 109.816 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.61 -137.4 50.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.8 4.02 9.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.627 0.771 . . . . 0.0 112.084 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.56 -15.42 8.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.792 0.837 . . . . 0.0 112.891 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.75 135.85 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 118.823 0.738 . . . . 0.0 110.654 -172.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m -131.84 148.71 52.57 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.697 1.199 . . . . 0.0 109.759 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mm -130.6 144.47 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 125.708 1.603 . . . . 0.0 108.226 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -137.49 135.47 36.83 Favored 'General case' 0 C--N 1.334 -0.097 0 O-C-N 122.028 -0.42 . . . . 0.0 110.378 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.43 100.21 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.11 -29.52 60.6 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.695 -0.628 . . . . 0.0 111.394 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.3 -174.37 37.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 122.552 0.12 . . . . 0.0 113.129 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.99 154.93 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 CA-C-O 121.311 0.577 . . . . 0.0 111.459 177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -140.22 74.0 1.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.127 1.371 . . . . 0.0 108.637 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.96 -116.71 4.26 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -101.59 8.53 41.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.465 0.706 . . . . 0.0 110.881 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.97 154.36 18.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.912 0.885 . . . . 0.0 110.236 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.75 118.23 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.684 0.794 . . . . 0.0 109.246 -169.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -87.7 121.68 30.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.915 0.886 . . . . 0.0 109.696 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -131.25 134.53 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.492 1.117 . . . . 0.0 109.716 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 140.66 15.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 123.504 0.573 . . . . 0.0 111.743 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.08 132.17 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.867 0.867 . . . . 0.0 109.488 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -133.03 75.05 1.6 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.526 -168.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.65 157.49 51.91 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.773 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.78 156.66 41.89 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.05 1.834 . . . . 0.0 111.241 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -67.26 -0.73 3.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.166 0.987 . . . . 0.0 112.357 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.88 -25.74 67.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.707 1.603 . . . . 0.0 111.366 171.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.13 144.15 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.659 1.184 . . . . 0.0 110.286 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.72 142.8 29.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 111.403 169.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -143.45 95.07 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.974 -166.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 161.36 40.69 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 123.28 0.632 . . . . 0.0 111.699 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.4 ptt-85 -67.53 158.38 32.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -54.75 -36.75 65.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.711 0.804 . . . . 0.0 112.107 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -51.19 58.21 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.13 0.572 . . . . 0.0 111.437 174.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -71.08 -45.49 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.747 1.219 . . . . 0.0 110.491 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -51.87 -37.6 52.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.925 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -68.42 -25.07 64.84 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -81.51 -38.65 25.93 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.943 0.792 . . . . 0.0 110.461 172.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.515 HG22 ' NE2' ' B' ' 52' ' ' GLN . 93.0 mt -62.94 -41.4 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.515 ' NE2' HG22 ' B' ' 51' ' ' ILE . 32.7 mm-40 -79.89 5.11 14.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.56 -15.43 56.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.07 0.548 . . . . 0.0 111.698 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.05 46.2 0.13 Allowed Glycine 0 C--N 1.338 0.644 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.146 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.95 -176.62 2.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 113.009 -168.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -126.45 178.0 6.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.623 1.569 . . . . 0.0 109.15 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.03 118.68 0.96 Allowed Pre-proline 0 CA--C 1.53 0.193 0 C-N-CA 124.798 1.239 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.02 175.34 8.45 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.872 1.715 . . . . 0.0 113.771 -169.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.51 173.105 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.25 115.38 30.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.041 1.337 . . . . 0.0 108.338 170.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.41 133.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.583 0.753 . . . . 0.0 109.886 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.14 134.9 51.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.817 0.847 . . . . 0.0 109.52 168.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -90.2 139.24 30.83 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.77 130.2 18.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -75.55 151.3 37.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.503 1.121 . . . . 0.0 109.418 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.45 140.6 17.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 O-C-N 121.545 -0.722 . . . . 0.0 112.264 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.77 -3.92 84.93 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.661 1.124 . . . . 0.0 114.06 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -85.87 172.54 10.66 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.7 1.25 . . . . 0.0 112.706 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -132.63 157.7 44.13 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.174 0.99 . . . . 0.0 112.928 -172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -141.64 154.68 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 C-N-CA 127.021 2.129 . . . . 0.0 108.564 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -125.47 147.64 49.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.354 1.062 . . . . 0.0 111.757 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -136.12 139.97 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.887 1.275 . . . . 0.0 109.094 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.38 -138.8 47.49 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.681 0.658 . . . . 0.0 111.622 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.76 7.46 11.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.142 0.977 . . . . 0.0 111.38 169.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -132.5 -11.66 3.13 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 113.398 -169.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.74 137.31 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 118.77 0.714 . . . . 0.0 110.788 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -126.59 143.73 51.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.494 1.117 . . . . 0.0 109.519 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -124.17 142.5 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.165 1.386 . . . . 0.0 108.202 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -135.4 131.98 36.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 122.117 -0.364 . . . . 0.0 110.452 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -88.06 111.99 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 168.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.402 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.7 mt -88.65 -35.93 16.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.882 -0.511 . . . . 0.0 110.041 -175.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.33 178.58 40.18 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 113.945 0.338 . . . . 0.0 113.945 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.15 149.76 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.541 0.736 . . . . 0.0 110.589 172.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -144.88 104.38 3.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.566 1.146 . . . . 0.0 108.58 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.64 -128.68 27.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -169.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.71 -1.28 55.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.9 0.88 . . . . 0.0 112.208 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.59 153.98 22.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.445 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.59 122.89 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.18 0.992 . . . . 0.0 108.51 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.402 ' HG2' HD12 ' C' ' 23' ' ' LEU . 19.8 ttm180 -79.31 114.66 18.42 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 169.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.92 123.22 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.574 1.149 . . . . 0.0 109.602 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 141.81 20.68 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.138 1.351 . . . . 0.0 111.908 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -132.13 132.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -137.99 89.99 2.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.0 157.34 78.36 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.253 1.021 . . . . 0.0 110.127 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.76 154.16 71.11 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.635 2.223 . . . . 0.0 111.341 171.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.38 -0.88 2.93 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.534 0.734 . . . . 0.0 112.626 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.376 1.07 . . . . 0.0 111.445 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.27 151.85 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.172 0.989 . . . . 0.0 110.852 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.01 154.42 22.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.116 0.566 . . . . 0.0 111.571 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.45 128.94 21.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 123.053 0.541 . . . . 0.0 109.876 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -155.63 162.68 40.57 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.238 0.615 . . . . 0.0 111.787 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -77.57 163.72 26.01 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 165.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.81 -27.54 67.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.046 -0.409 . . . . 0.0 111.768 -170.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.02 -44.67 87.45 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.869 0.868 . . . . 0.0 111.456 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -92.23 -31.76 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 118.871 -0.585 . . . . 0.0 110.91 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.567 ' HA ' HD13 ' C' ' 51' ' ' ILE . 22.5 t80 -49.4 -41.28 39.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.64 0.654 . . . . 0.0 111.422 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.412 ' C ' HE22 ' C' ' 52' ' ' GLN . 78.1 mt-30 -51.55 -20.75 2.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.576 1.95 . . . . 0.0 113.893 177.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -87.12 -39.18 15.78 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.567 HD13 ' HA ' ' C' ' 48' ' ' TYR . 1.7 mp -49.22 -42.15 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.28 1.432 . . . . 0.0 112.587 -168.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -105.04 2.12 29.21 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.694 1.998 . . . . 0.0 110.372 -168.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.02 -12.41 47.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.28 1.832 . . . . 0.0 113.303 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.75 127.33 4.99 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -168.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.23 162.4 13.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.482 0.713 . . . . 0.0 111.796 -168.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.0 p -88.77 -8.73 53.89 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.014 0.925 . . . . 0.0 113.003 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.2 83.56 38.51 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 123.691 0.796 . . . . 0.0 111.052 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -69.15 179.96 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.318 2.678 . . . . 0.0 112.522 171.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.841 0.857 . . . . 0.0 112.54 175.593 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -128.08 109.28 11.38 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.093 1.757 . . . . 0.0 106.571 166.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.51 124.88 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 108.475 -172.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 mt -110.37 169.06 8.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.861 0.864 . . . . 0.0 110.031 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.79 109.82 12.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -117.32 131.52 56.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.851 0.861 . . . . 0.0 110.028 -168.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -75.61 153.27 37.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.523 0.601 . . . . 0.0 110.582 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.76 HG11 HG12 ' D' ' 25' ' ' VAL . 16.0 m -55.69 135.57 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.078 170.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.33 -2.52 74.65 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.391 0.996 . . . . 0.0 114.144 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -97.44 175.98 6.04 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.995 1.398 . . . . 0.0 112.642 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -132.44 161.89 32.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.82 0.848 . . . . 0.0 113.252 -168.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -146.1 159.24 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 127.278 2.231 . . . . 0.0 108.293 -171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.1 149.75 52.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.256 -0.902 . . . . 0.0 112.01 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 59.0 mt -134.25 139.23 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.748 1.219 . . . . 0.0 109.802 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.63 -134.75 52.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 10.02 5.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.698 0.799 . . . . 0.0 112.32 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -126.55 -13.09 6.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.008 0.923 . . . . 0.0 113.298 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.53 133.4 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 118.91 0.777 . . . . 0.0 110.515 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -117.28 148.85 41.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.962 0.905 . . . . 0.0 109.606 172.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.92 144.84 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.988 1.315 . . . . 0.0 108.164 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -140.48 140.8 35.39 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 121.834 -0.541 . . . . 0.0 109.849 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -98.82 91.56 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.93 -33.02 74.68 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.709 -0.619 . . . . 0.0 111.735 -168.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.99 40.88 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-O 121.474 0.486 . . . . 0.0 113.52 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.76 HG12 HG11 ' D' ' 8' ' ' VAL . 7.6 p -139.72 133.59 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.523 1.129 . . . . 0.0 110.077 -169.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -139.79 88.13 2.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.027 1.331 . . . . 0.0 109.232 -169.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -123.05 22.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -171.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -8.47 44.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.679 0.791 . . . . 0.0 110.98 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.17 156.42 20.34 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.893 0.854 . . . . 0.0 111.779 170.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.09 127.58 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 124.19 0.996 . . . . 0.0 108.7 -173.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -83.47 112.66 20.16 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 122.936 0.495 . . . . 0.0 109.85 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -115.23 120.79 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.352 0.661 . . . . 0.0 109.426 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.8 139.27 14.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.71 1.148 . . . . 0.0 110.862 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 82.4 mt -134.18 134.96 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -137.99 89.92 2.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.05 157.56 48.34 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.775 1.23 . . . . 0.0 109.032 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.85 149.45 90.06 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.591 1.528 . . . . 0.0 110.107 169.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -68.71 -1.02 6.03 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.79 -0.569 . . . . 0.0 112.512 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.96 -23.21 66.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.121 1.369 . . . . 0.0 111.779 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.31 160.04 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 124.182 0.993 . . . . 0.0 110.928 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.82 157.06 16.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.32 0.648 . . . . 0.0 112.677 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.46 126.01 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.925 0.49 . . . . 0.0 109.846 167.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -150.11 164.68 34.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.537 0.735 . . . . 0.0 111.538 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -60.93 156.95 16.35 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 168.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.55 -35.84 77.0 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.855 0.752 . . . . 0.0 111.457 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.42 -23.8 66.36 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 24.4 mm -95.1 -35.4 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.562 1.145 . . . . 0.0 111.064 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -51.68 -41.31 61.33 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.139 0.976 . . . . 0.0 111.185 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.66 -22.15 63.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.58 1.152 . . . . 0.0 113.213 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 64.4 mtt180 -81.03 -45.52 16.43 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.085 0.954 . . . . 0.0 110.837 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.57 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.1 mp -60.27 -31.51 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 171.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.465 HE22 HG22 ' D' ' 51' ' ' ILE . 0.3 OUTLIER -87.47 2.08 51.63 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.714 0.805 . . . . 0.0 111.521 176.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -80.04 1.54 27.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.143 1.377 . . . . 0.0 112.25 170.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.12 35.37 2.54 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 119.448 -0.64 . . . . 0.0 113.596 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.428 ' C ' HD12 ' D' ' 55' ' ' LEU . 3.7 pp -161.2 -172.24 3.34 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.041 0.92 . . . . 0.0 112.716 -168.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.562 HG22 ' H ' ' D' ' 57' ' ' ALA . 4.2 m -139.22 172.4 12.89 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.392 1.477 . . . . 0.0 107.854 166.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.562 ' H ' HG22 ' D' ' 56' ' ' THR . . . -43.99 127.86 4.32 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 124.001 0.92 . . . . 0.0 112.282 -173.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -58.09 164.73 7.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.11 2.54 . . . . 0.0 114.304 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 N--CA 1.454 -0.246 0 C-N-CA 124.666 1.187 . . . . 0.0 112.731 -178.802 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . 0.321 12.7 ttt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt -131.4 135.17 46.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.222 1.809 . . . . 0.0 108.284 166.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.46 138.95 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.011 0.925 . . . . 0.0 109.274 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.7 165.04 34.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.114 0.966 . . . . 0.0 112.052 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.86 127.65 49.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.468 0.707 . . . . 0.0 109.926 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.27 125.03 31.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.929 1.291 . . . . 0.0 109.919 -170.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -90.57 166.45 13.2 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 119.762 1.164 . . . . 0.0 112.457 174.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.85 137.02 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.967 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.56 83.87 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.125 0.869 . . . . 0.0 114.206 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -93.06 172.58 8.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.782 1.291 . . . . 0.0 111.595 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -135.36 158.41 44.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -138.49 156.38 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 126.914 2.085 . . . . 0.0 108.223 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.98 150.7 49.35 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.48 -0.763 . . . . 0.0 113.049 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.57 139.86 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.728 1.211 . . . . 0.0 108.995 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -138.3 49.74 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.12 4.46 9.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.94 0.896 . . . . 0.0 111.715 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -134.92 -3.65 2.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.748 0.819 . . . . 0.0 113.052 -170.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.87 133.97 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.87 0.759 . . . . 0.0 110.62 -175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -127.16 144.89 50.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.379 1.072 . . . . 0.0 109.997 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.5 mm -126.24 140.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.272 1.429 . . . . 0.0 108.013 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -137.69 126.98 24.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.781 0.432 . . . . 0.0 109.913 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.35 105.34 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.38 -29.95 57.33 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.939 0.496 . . . . 0.0 110.904 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.91 -174.76 35.24 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.383 0.516 . . . . 0.0 113.673 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -120.6 155.45 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.029 0.932 . . . . 0.0 111.655 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -141.75 89.93 2.24 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.795 1.238 . . . . 0.0 109.112 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.3 -104.97 1.45 Allowed Glycine 0 CA--C 1.524 0.647 0 O-C-N 121.827 -0.546 . . . . 0.0 111.891 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -98.42 -20.11 17.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.595 0.697 . . . . 0.0 111.894 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -71.4 148.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.278 0.631 . . . . 0.0 110.265 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 t -139.75 116.93 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -90.63 124.86 35.39 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.211 0.605 . . . . 0.0 109.682 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.91 130.04 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.083 0.553 . . . . 0.0 110.667 -168.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.47 143.89 16.76 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.263 0.935 . . . . 0.0 111.864 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.7 mt -133.77 126.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.455 1.502 . . . . 0.0 108.474 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -128.83 98.9 5.12 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -172.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.08 155.98 74.18 Favored Pre-proline 0 N--CA 1.452 -0.351 0 C-N-CA 124.936 1.294 . . . . 0.0 110.014 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.43 159.09 32.98 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.585 2.19 . . . . 0.0 111.974 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' E' ' 38' ' ' LYS . 12.5 mmmm -69.27 -0.91 6.84 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.907 0.883 . . . . 0.0 112.642 169.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.92 -23.59 67.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 169.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.88 157.84 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 111.074 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.39 155.99 18.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.975 0.51 . . . . 0.0 111.878 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.99 125.52 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 122.877 0.471 . . . . 0.0 110.508 169.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -150.91 170.85 18.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -80.23 162.5 24.61 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.64 -0.662 . . . . 0.0 110.646 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -59.51 -26.5 65.36 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.365 0.666 . . . . 0.0 112.292 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -61.32 -49.9 75.13 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.259 1.024 . . . . 0.0 111.438 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.74 -31.83 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -55.26 -33.25 63.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.446 1.098 . . . . 0.0 112.583 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -70.27 -25.49 63.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.258 0.623 . . . . 0.0 112.54 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.75 -22.97 60.77 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.82 0.848 . . . . 0.0 110.965 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -94.94 -48.5 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.946 0.899 . . . . 0.0 109.507 -170.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -71.12 3.05 3.78 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.53 -23.09 67.25 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.597 0.759 . . . . 0.0 112.5 169.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.3 23.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 CA-C-O 119.064 -0.853 . . . . 0.0 115.056 169.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.37 -176.06 5.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.627 1.213 . . . . 0.0 112.476 -168.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 22.8 m -137.01 -47.34 0.59 Allowed 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.355 0.662 . . . . 0.0 112.325 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . 0.545 ' H ' ' HD3' ' E' ' 58' ' ' PRO . . . -131.84 2.53 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 -168.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . 0.545 ' HD3' ' H ' ' E' ' 57' ' ' ALA . 73.5 Cg_exo -59.29 167.52 5.99 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 123.093 2.14 . . . . 0.0 115.405 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 125.299 1.44 . . . . 0.0 113.016 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.61 149.31 21.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.072 -0.393 . . . . 0.0 111.413 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.0 128.04 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.41 0.684 . . . . 0.0 109.157 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.53 152.13 32.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.973 1.309 . . . . 0.0 109.262 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.73 97.02 4.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.82 145.09 51.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.55 0.74 . . . . 0.0 111.359 -175.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.67 174.18 7.39 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.88 139.12 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.73 -5.6 82.2 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.862 0.744 . . . . 0.0 114.46 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.68 175.66 10.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.762 1.281 . . . . 0.0 112.742 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -145.33 150.07 35.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.504 1.122 . . . . 0.0 110.856 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.41 157.08 41.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 125.627 1.571 . . . . 0.0 108.605 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -130.88 149.48 52.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.285 -0.885 . . . . 0.0 112.159 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.4 mt -136.39 143.13 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.486 1.114 . . . . 0.0 109.07 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.74 -138.46 48.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -124.93 10.0 8.21 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.078 0.951 . . . . 0.0 112.31 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -133.16 -9.89 2.96 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.75 137.63 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.404 1.002 . . . . 0.0 111.217 -171.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -131.35 145.16 51.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.352 1.061 . . . . 0.0 110.589 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mm -124.25 141.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 126.037 1.735 . . . . 0.0 108.453 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 15.4 m -135.81 138.76 42.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.095 0.958 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -96.11 112.11 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.38 -28.25 41.9 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.649 0.38 . . . . 0.0 110.149 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.28 -169.42 31.52 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.611 0.624 . . . . 0.0 113.327 168.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.34 160.7 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 C-N-CA 123.355 0.662 . . . . 0.0 112.04 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -148.99 95.88 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.493 1.117 . . . . 0.0 109.306 169.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.47 -102.93 1.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -100.47 -19.4 16.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.404 0.602 . . . . 0.0 112.126 171.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.59 144.75 45.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.05 0.54 . . . . 0.0 110.518 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.33 112.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -88.09 124.82 34.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.185 0.594 . . . . 0.0 109.489 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.98 142.45 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.408 1.083 . . . . 0.0 109.845 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.23 143.53 17.56 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.383 0.992 . . . . 0.0 111.128 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 57.3 mt -135.54 127.87 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.497 1.119 . . . . 0.0 109.662 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -124.68 105.72 9.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.577 0.751 . . . . 0.0 109.456 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.28 158.36 75.42 Favored Pre-proline 0 N--CA 1.453 -0.292 0 C-N-CA 124.207 1.003 . . . . 0.0 110.93 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.21 159.72 41.96 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.746 2.297 . . . . 0.0 112.357 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.5 -12.57 45.59 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -16.38 63.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 112.406 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.35 168.09 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.955 0.902 . . . . 0.0 110.875 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.63 158.88 15.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.347 0.659 . . . . 0.0 111.389 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.01 120.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.552 0.741 . . . . 0.0 109.993 174.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -155.68 177.73 11.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.937 0.895 . . . . 0.0 110.596 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -79.66 164.09 24.04 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.045 -0.409 . . . . 0.0 109.939 168.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.39 -26.05 66.36 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.141 0.576 . . . . 0.0 112.426 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.23 -48.16 82.9 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.868 0.867 . . . . 0.0 111.4 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -83.46 -26.27 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.251 0.621 . . . . 0.0 110.347 -169.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.93 -33.52 62.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.825 0.85 . . . . 0.0 112.686 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -70.35 -22.07 62.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.224 0.609 . . . . 0.0 112.617 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -73.22 -23.05 60.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.581 0.752 . . . . 0.0 110.967 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.41 -48.22 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.77 0.828 . . . . 0.0 109.935 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -70.12 3.02 3.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -24.39 67.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.093 0.957 . . . . 0.0 113.067 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.12 26.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 114.941 0.736 . . . . 0.0 114.941 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -157.97 178.3 10.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.333 1.066 . . . . 0.0 111.408 -169.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 5.8 m -146.55 159.05 43.93 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.403 0.681 . . . . 0.0 110.54 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.32 71.89 1.29 Allowed Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 125.12 1.368 . . . . 0.0 112.848 170.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.72 140.28 56.83 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.386 2.724 . . . . 0.0 112.9 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 125.89 1.676 . . . . 0.0 113.995 172.132 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-C3' 110.886 -3.076 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.511 3.311 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.642 4.442 . 0.511 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 1 O4'-C1'-N19 112.98 4.78 OUTLIER-EPSILON 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.435 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.466 1 P-O3'-C3' 126.2 5.416 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.435 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 107.471 -5.353 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.442 ' C5 ' ' HD2' ' D' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.033 1 O4'-C1'-N19 112.289 4.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.379 3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 P-O3'-C3' 122.336 2.197 . 0.013 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 104.56 3.4 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.756 3.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.457 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 110.332 -3.445 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 C4'-C3'-C2' 98.181 -4.519 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 99.751 -2.949 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.556 3.356 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O4'-C1'-N19 111.416 3.216 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C5'-C4'-C3' 111.08 -2.947 . 0.324 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 1 O4'-C1'-N19 112.313 4.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 C4'-C3'-C2' 98.637 -4.063 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C5'-C4'-C3' 110.047 -3.635 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 4 C4'-C3'-C2' 96.057 -6.643 OUTLIER-DELTA 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C4'-C3'-C2' 100.099 -2.601 . 0.049 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 1 O4'-C1'-N19 112.358 4.158 . 0.898 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 O4'-C1'-N19 112.363 4.163 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 N19-C1'-C2' 108.942 -2.786 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 O4'-C1'-N19 111.545 3.345 . 0.51 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 C5'-C4'-C3' 111.268 -2.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 111.967 -2.355 . 0.056 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.427 ' C2 ' " H1'" ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 C5'-C4'-C3' 111.335 -2.777 OUTLIER-DELTA 0.026 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 0 O4'-C1'-N19 111.173 2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . 0.427 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.297 -2.403 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.118 2.918 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.269 4.069 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C4'-C3'-C2' 99.357 -3.343 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 111.742 3.542 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 111.722 3.522 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 113.355 5.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.427 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.355 0 C4'-C3'-C2' 99.119 -3.581 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.427 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 103.965 2.739 . 0.015 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.693 4.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.435 1 C5'-C4'-C3' 108.934 -4.377 . 0.061 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.799 3.599 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 111.722 -2.518 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 2 C4'-C3'-C2' 98.399 -4.301 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 112.07 3.87 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 O4'-C1'-N19 111.319 3.119 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 O4'-C1'-N19 112.284 4.084 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . 0.422 ' C2 ' HD23 ' B' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C4'-C3'-O3' 120.254 3.713 OUTLIER-EPSILON 0.644 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 1 P-O3'-C3' 126.879 5.983 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 110.856 2.656 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C5'-C4'-C3' 111.193 -2.871 . 0.373 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.403 " H4'" ' CD1' ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O5'-C5'-C4' 116.336 4.383 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C5'-C4'-C3' 111.402 -2.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 1 O4'-C1'-N19 112.46 4.26 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 111.6 -2.6 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C5'-C4'-C3' 111.768 -2.488 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 1 O4'-C1'-N19 113.394 5.194 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 1 O4'-C1'-N19 113.497 5.297 . 0.043 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 112.077 3.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 0 C4'-C3'-C2' 99.639 -3.061 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 111.364 3.164 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.59 3.39 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.737 -2.509 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C4'-C3'-C2' 99.629 -3.071 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O5'-C5'-C4' 114.684 3.203 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 0 C5'-C4'-C3' 111.231 -2.846 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 C5'-C4'-C3' 105.953 -6.365 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 1 P-O3'-C3' 126.146 5.372 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 110.922 2.722 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 1 O4'-C1'-N19 112.363 4.163 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.306 3.106 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C4'-C3'-C2' 100.524 -2.176 . 0.642 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 ttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 113.48 25.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.137 0.88 . . . . 0.0 109.844 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.46 138.66 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.876 0.87 . . . . 0.0 110.05 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.2 mt -135.09 158.28 44.77 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.618 1.167 . . . . 0.0 109.831 173.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.7 m -126.81 118.02 23.81 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.821 0.848 . . . . 0.0 109.225 -173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -130.76 138.7 50.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.947 0.499 . . . . 0.0 111.399 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 158.94 18.59 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 168.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' HA2' ' A' ' 24' ' ' GLY . 70.1 t -43.28 127.32 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 111.146 174.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.7 -5.71 56.9 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.358 0.98 . . . . 0.0 114.584 174.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -92.82 165.55 12.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.973 1.386 . . . . 0.0 112.268 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.56 146.18 47.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 17.3 mm -110.41 157.4 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.366 1.466 . . . . 0.0 110.053 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -129.64 139.46 51.41 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.485 1.114 . . . . 0.0 110.142 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mt -133.72 128.75 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.152 0.981 . . . . 0.0 109.558 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.84 -128.75 32.23 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -123.86 -1.71 8.35 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.735 0.814 . . . . 0.0 112.498 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.76 -19.31 1.36 Allowed 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -169.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.16 132.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 119.188 0.904 . . . . 0.0 110.392 -172.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -127.08 142.09 51.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.749 0.82 . . . . 0.0 109.641 171.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -123.4 143.79 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.827 1.251 . . . . 0.0 108.335 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -139.29 135.76 34.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.477 0.58 . . . . 0.0 110.237 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.03 100.08 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.66 -30.26 62.81 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.99 -0.444 . . . . 0.0 110.215 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.77 -173.06 43.35 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 117.709 0.232 . . . . 0.0 113.497 169.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.84 156.29 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.8 0.84 . . . . 0.0 111.658 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -141.74 62.33 1.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.382 1.073 . . . . 0.0 109.976 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.54 -116.71 4.99 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.29 -14.98 58.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.28 0.632 . . . . 0.0 112.446 -175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -101.17 153.6 19.46 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.982 0.896 . . . . 0.0 112.644 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -132.37 117.3 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.937 1.695 . . . . 0.0 107.868 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -91.82 101.97 14.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.079 0.466 . . . . 0.0 110.046 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.81 133.42 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.881 1.272 . . . . 0.0 109.258 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.21 138.18 13.96 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.718 0.675 . . . . 0.0 111.454 170.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -111.94 130.61 65.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.365 1.466 . . . . 0.0 108.105 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -119.35 74.96 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.297 1.039 . . . . 0.0 109.1 175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.37 153.83 40.2 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 125.191 1.396 . . . . 0.0 110.614 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.99 153.54 57.86 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.491 2.127 . . . . 0.0 110.405 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -68.0 -4.32 12.9 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.63 -22.95 63.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 112.29 170.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.91 144.08 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.803 0.811 . . . . 0.0 111.685 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.08 30.91 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.157 0.983 . . . . 0.0 110.842 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 129.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.699 0.4 . . . . 0.0 110.743 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -153.29 174.49 14.23 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.031 0.932 . . . . 0.0 110.762 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -108.1 164.78 11.99 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.704 0.402 . . . . 0.0 111.657 169.144 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.23 -24.43 67.34 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.22 -13.91 62.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.703 0.801 . . . . 0.0 111.902 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.16 -28.81 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.578 1.151 . . . . 0.0 110.907 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.94 -31.89 73.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.391 -0.818 . . . . 0.0 110.678 -174.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.22 -16.67 60.96 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.656 0.782 . . . . 0.0 111.67 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.28 -34.95 48.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 110.951 169.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.7 -51.61 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.615 0.766 . . . . 0.0 109.229 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -84.08 5.13 27.17 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.76 0.824 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.04 -24.46 67.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.869 0.468 . . . . 0.0 111.947 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.41 -9.44 0.93 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 123.996 0.808 . . . . 0.0 113.126 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.7 pp -95.19 90.85 6.03 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 122.287 1.041 . . . . 0.0 111.123 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -118.44 155.14 31.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.614 -0.679 . . . . 0.0 111.049 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 151.11 83.02 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.707 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.11 -24.42 58.26 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.367 2.711 . . . . 0.0 113.553 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 122.718 0.407 . . . . 0.0 111.684 -169.703 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.7 122.55 44.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 168.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -118.99 140.09 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.937 0.495 . . . . 0.0 111.968 -164.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.433 HD23 ' C2 ' ' G' ' 48' ' ' ' A' . 94.1 mt -141.55 135.28 29.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.381 1.072 . . . . 0.0 111.079 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.0 p -86.83 125.32 33.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 166.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.2 OUTLIER -122.47 121.77 37.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.003 -178.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -74.42 155.25 38.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.867 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 24.5 m -63.32 124.63 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.852 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.55 56.71 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 118.926 -0.93 . . . . 0.0 115.031 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -90.88 166.57 13.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 119.05 1.425 . . . . 0.0 111.755 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -129.26 157.58 41.47 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.704 0.802 . . . . 0.0 113.026 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 22.6 mt -132.76 155.24 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.24 1.816 . . . . 0.0 109.532 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -137.23 139.0 40.74 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.922 -171.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.03 126.61 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.327 1.051 . . . . 0.0 109.462 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.01 52.2 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.03 4.91 5.9 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.809 0.844 . . . . 0.0 112.869 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -111.08 -22.1 11.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.71 137.76 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.983 0.81 . . . . 0.0 111.51 -169.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.54 152.19 51.86 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.016 1.326 . . . . 0.0 109.732 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.9 mm -129.92 146.36 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.246 1.818 . . . . 0.0 107.737 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -139.32 133.58 31.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.669 0.388 . . . . 0.0 110.07 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.65 98.97 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.445 HD22 ' C2 ' ' G' ' 30' ' ' ' C' . 33.1 mt -69.07 -32.81 72.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 122.097 -0.377 . . . . 0.0 111.283 -175.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 161.05 -174.09 37.6 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 122.134 -0.079 . . . . 0.0 113.138 169.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.39 154.23 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.187 0.595 . . . . 0.0 110.912 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.2 t -138.3 77.81 1.65 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.732 1.213 . . . . 0.0 108.507 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.58 -115.9 4.25 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.461 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -108.71 15.12 23.92 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.078 0.439 . . . . 0.0 111.494 169.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -99.02 156.43 16.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.789 1.235 . . . . 0.0 109.962 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -140.31 119.86 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.782 0.833 . . . . 0.0 109.131 -168.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.52 119.21 30.6 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.935 1.294 . . . . 0.0 109.27 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.02 133.61 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.062 0.945 . . . . 0.0 110.377 -169.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.59 143.9 16.73 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 123.818 0.723 . . . . 0.0 112.204 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mt -125.98 129.73 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.231 1.012 . . . . 0.0 109.3 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -130.29 74.98 1.62 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.556 -168.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.49 48.27 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.416 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.84 156.6 37.37 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.779 1.653 . . . . 0.0 110.176 169.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -0.92 19.66 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 121.742 0.782 . . . . 0.0 111.04 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -22.82 66.57 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.837 1.655 . . . . 0.0 111.743 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -112.75 144.08 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.237 1.015 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 141.88 29.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.509 0.671 . . . . 0.0 111.602 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 t -141.98 95.4 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.053 -166.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.1 159.62 43.38 Favored 'General case' 0 CA--C 1.523 -0.086 0 O-C-N 121.953 -0.467 . . . . 0.0 112.049 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 32.9 ptt-85 -67.15 160.54 26.62 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.169 0.588 . . . . 0.0 111.884 170.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -57.15 -41.08 78.47 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.217 0.607 . . . . 0.0 112.436 -172.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.07 -1.81 11.01 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -106.13 -51.67 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.279 1.031 . . . . 0.0 109.57 169.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -50.61 -37.11 38.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.452 1.501 . . . . 0.0 112.276 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.95 -21.81 63.23 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -80.97 -39.86 25.36 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.588 0.631 . . . . 0.0 110.683 170.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' NE2' ' B' ' 52' ' ' GLN . 99.7 mt -65.0 -39.04 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.486 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.3 mm-40 -80.4 5.04 16.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.66 -17.67 43.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.281 0.633 . . . . 0.0 112.075 169.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.51 47.36 0.09 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-O 119.526 -0.597 . . . . 0.0 114.417 169.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.94 -176.38 2.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.761 0.781 . . . . 0.0 112.882 -168.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.9 p -128.94 175.58 8.55 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.437 1.495 . . . . 0.0 109.016 167.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -35.95 118.46 0.67 Allowed Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.88 1.672 . . . . 0.0 113.282 -176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 41.5 Cg_exo -67.9 151.95 77.63 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.483 2.122 . . . . 0.0 112.987 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 124.032 0.933 . . . . 0.0 112.686 167.384 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 110.2 18.07 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.566 1.547 . . . . 0.0 106.945 164.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.31 136.17 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 124.171 0.988 . . . . 0.0 110.111 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.1 mt -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.205 1.002 . . . . 0.0 109.549 169.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -94.89 147.26 23.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.014 0.526 . . . . 0.0 110.248 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 150.9 36.73 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.668 0.787 . . . . 0.0 111.374 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -85.36 156.13 21.02 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.195 0.998 . . . . 0.0 108.826 169.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.86 141.19 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-N 119.211 0.914 . . . . 0.0 111.686 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.42 -3.24 86.81 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.677 1.132 . . . . 0.0 114.743 -174.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.59 -176.08 6.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.712 1.756 . . . . 0.0 113.306 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -140.72 147.42 39.16 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 125.256 1.423 . . . . 0.0 112.318 -166.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' D' ' 44' ' ' ARG . 31.3 mm -144.15 153.92 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 C-N-CA 126.996 2.118 . . . . 0.0 107.529 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.38 147.07 51.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.256 -0.902 . . . . 0.0 112.044 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -135.12 134.57 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.585 1.154 . . . . 0.0 109.221 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -140.17 46.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.789 0.709 . . . . 0.0 111.7 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -120.14 9.97 11.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.302 1.041 . . . . 0.0 111.35 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -127.89 -14.95 4.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 112.936 -170.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.38 136.55 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 118.614 0.643 . . . . 0.0 110.826 -172.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -126.16 138.93 53.7 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.571 1.148 . . . . 0.0 108.972 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.21 138.91 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -129.0 142.67 50.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.128 0.971 . . . . 0.0 109.45 -172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -103.08 129.59 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.47 -38.47 7.56 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.27 176.86 39.0 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 121.506 -0.378 . . . . 0.0 114.042 166.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.01 147.62 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.097 0.559 . . . . 0.0 110.262 169.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -144.54 98.61 3.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.902 1.281 . . . . 0.0 107.862 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.84 -140.88 23.77 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.828 -169.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.76 5.67 24.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.963 0.905 . . . . 0.0 110.423 168.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.93 145.56 24.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.405 HG11 HG11 ' D' ' 30' ' ' VAL . 43.8 t -136.35 113.31 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -172.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -83.48 111.75 19.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -111.8 138.34 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 126.04 1.736 . . . . 0.0 109.114 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.42 139.9 14.66 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.022 0.82 . . . . 0.0 111.288 170.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.4 122.12 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.899 0.88 . . . . 0.0 108.815 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -123.28 93.05 3.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.942 0.497 . . . . 0.0 110.227 -174.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.89 156.95 79.52 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 124.63 1.172 . . . . 0.0 110.057 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.38 152.39 77.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.654 2.236 . . . . 0.0 111.152 171.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.7 -0.92 3.24 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.369 0.668 . . . . 0.0 112.606 172.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.93 -22.21 66.48 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.277 1.031 . . . . 0.0 111.23 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.52 146.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.305 1.042 . . . . 0.0 110.517 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.34 156.99 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.577 0.351 . . . . 0.0 111.28 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.36 132.71 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 123.264 0.626 . . . . 0.0 109.666 172.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -157.17 165.16 36.75 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.145 0.578 . . . . 0.0 112.427 -173.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -69.63 155.14 40.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 166.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -60.11 -35.13 74.55 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.484 0.584 . . . . 0.0 111.599 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.22 -16.93 61.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.32 -35.15 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.886 0.874 . . . . 0.0 110.848 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -52.79 -35.27 56.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.68 1.192 . . . . 0.0 112.28 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.34 -27.46 65.94 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.8 0.84 . . . . 0.0 112.402 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -69.96 -40.32 75.48 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.584 0.753 . . . . 0.0 111.79 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.41 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -67.36 -21.02 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -95.81 2.03 53.54 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.705 1.202 . . . . 0.0 113.051 176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 4.09 3.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.87 20.13 3.86 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.136 0.875 . . . . 0.0 113.137 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.76 -6.37 37.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.754 0.822 . . . . 0.0 112.903 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -67.14 -15.4 63.69 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.276 1.03 . . . . 0.0 112.616 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.8 139.06 34.25 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.974 0.909 . . . . 0.0 110.378 169.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -65.96 175.95 4.19 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.758 2.305 . . . . 0.0 112.881 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 N--CA 1.455 -0.195 0 C-N-CA 124.131 0.972 . . . . 0.0 112.843 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.547 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -122.74 110.34 15.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.583 1.953 . . . . 0.0 106.986 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.3 mp -93.56 142.93 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.597 1.159 . . . . 0.0 109.749 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.4 136.78 18.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.9 1.28 . . . . 0.0 109.849 -168.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 6.4 p -97.48 133.98 41.33 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.425 0.557 . . . . 0.0 109.727 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -126.26 154.28 43.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 167.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.2 154.96 18.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.404 171.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.14 125.95 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.158 0.504 . . . . 0.0 111.053 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.67 -5.5 67.0 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.132 0.872 . . . . 0.0 113.908 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.21 170.46 10.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.65 1.225 . . . . 0.0 111.808 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -132.11 158.77 40.75 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.12 158.1 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 128.045 2.538 . . . . 0.0 107.899 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -131.92 153.0 50.72 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.051 -1.031 . . . . 0.0 111.329 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -134.18 135.98 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.94 1.296 . . . . 0.0 109.323 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -136.61 49.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.14 9.62 8.66 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.086 0.954 . . . . 0.0 111.762 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -136.05 -12.18 1.94 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -171.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.73 132.8 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 118.906 0.775 . . . . 0.0 110.524 -171.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -119.26 148.96 42.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.149 0.98 . . . . 0.0 110.062 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -130.49 142.64 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.727 1.611 . . . . 0.0 107.973 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 56.9 m -138.45 130.48 28.36 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . 0.435 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.25 106.29 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 172.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.91 -35.54 57.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.728 -0.608 . . . . 0.0 111.007 -168.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.22 -173.83 44.82 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.268 0.461 . . . . 0.0 112.311 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.99 158.92 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 C-N-CA 123.16 0.584 . . . . 0.0 110.761 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -143.24 75.12 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.763 0.825 . . . . 0.0 108.999 172.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.94 -113.14 3.65 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.82 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.31 -6.31 57.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.73 0.812 . . . . 0.0 110.585 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -85.26 158.56 20.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.935 0.874 . . . . 0.0 113.118 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.435 HG13 HD11 ' D' ' 22' ' ' ILE . 18.9 t -128.91 123.58 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.869 167.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -92.36 116.94 29.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -125.99 131.98 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.249 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.3 134.6 11.82 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 124.047 0.832 . . . . 0.0 111.092 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.04 140.13 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.36 1.064 . . . . 0.0 108.826 173.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -138.08 90.01 2.44 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.614 0.765 . . . . 0.0 109.708 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.61 158.63 46.72 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.602 1.161 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.55 150.91 87.31 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.047 1.831 . . . . 0.0 110.619 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -67.63 -0.97 4.41 Favored 'General case' 0 CA--C 1.526 0.03 0 C-N-CA 123.33 0.652 . . . . 0.0 112.719 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -69.76 -18.96 63.53 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.91 1.284 . . . . 0.0 112.0 168.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.59 160.11 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.158 0.983 . . . . 0.0 110.83 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.17 157.02 16.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.536 0.734 . . . . 0.0 112.596 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.09 127.44 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 O-C-N 121.846 -0.534 . . . . 0.0 110.195 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -152.5 173.38 15.21 Favored 'General case' 0 N--CA 1.458 -0.074 0 C-N-CA 123.521 0.729 . . . . 0.0 112.4 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . 0.517 ' HA ' HD13 ' C' ' 12' ' ' ILE . 9.5 mtp-105 -71.78 163.94 26.89 Favored 'General case' 0 C--O 1.227 -0.115 0 O-C-N 122.091 -0.381 . . . . 0.0 110.341 168.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.59 -40.0 93.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.028 0.531 . . . . 0.0 111.774 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.32 -26.36 67.27 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.41 -44.81 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.6 0.76 . . . . 0.0 109.945 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -48.83 -34.91 13.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.469 1.908 . . . . 0.0 113.002 -176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.92 -21.02 66.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.739 0.816 . . . . 0.0 113.004 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -46.2 14.01 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.958 0.903 . . . . 0.0 109.453 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.727 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.3 mp -59.6 -18.81 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 126.108 1.763 . . . . 0.0 111.24 173.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.86 -23.93 14.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.01 -22.57 10.97 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.22 -6.24 0.18 Allowed Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.028 0.823 . . . . 0.0 113.319 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.99 55.72 5.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 127.295 2.238 . . . . 0.0 112.006 169.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 52.5 p -72.36 -34.92 68.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.448 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.84 82.78 54.66 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 125.091 1.356 . . . . 0.0 108.224 169.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -55.17 168.45 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 124.2 3.267 . . . . 0.0 114.25 -169.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 124.376 1.07 . . . . 0.0 113.257 179.261 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tt -105.93 118.78 37.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.341 0.657 . . . . 0.0 110.983 -168.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.2 135.69 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.041 0.936 . . . . 0.0 109.408 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -132.04 164.53 26.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.564 1.546 . . . . 0.0 110.553 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -135.84 100.79 4.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 167.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -113.26 141.3 47.15 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.531 1.132 . . . . 0.0 110.272 -173.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -97.61 168.16 10.52 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.54 135.13 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.321 -169.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.48 -4.06 82.11 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.129 0.871 . . . . 0.0 114.219 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -92.03 164.02 13.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.779 1.29 . . . . 0.0 111.495 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -130.39 158.63 39.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -169.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' E' ' 6' ' ' ARG . 25.0 mt -142.08 156.33 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 126.264 1.826 . . . . 0.0 108.076 -174.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.23 148.24 47.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.557 -0.714 . . . . 0.0 112.789 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -137.16 137.76 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.693 1.197 . . . . 0.0 109.026 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.97 -136.85 50.48 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.22 9.99 6.79 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.919 0.888 . . . . 0.0 112.477 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -128.54 -12.17 4.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.48 135.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 119.204 0.911 . . . . 0.0 111.121 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -128.12 143.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.555 1.142 . . . . 0.0 109.962 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.29 143.31 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 125.34 1.456 . . . . 0.0 108.239 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -138.26 129.32 27.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.932 0.493 . . . . 0.0 110.074 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -77.44 109.76 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 169.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.99 -27.21 39.65 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.988 -0.445 . . . . 0.0 111.075 -175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -174.27 33.42 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.454 0.549 . . . . 0.0 113.296 169.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.44 157.79 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 123.582 0.753 . . . . 0.0 111.928 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -149.61 89.94 1.67 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.764 1.225 . . . . 0.0 109.28 169.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.24 -116.06 5.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -173.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.64 -20.69 22.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.409 0.605 . . . . 0.0 111.556 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -74.56 141.81 44.74 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.215 0.531 . . . . 0.0 110.065 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.13 117.63 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -85.25 127.24 34.23 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.8 135.46 55.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.216 -168.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 140.03 15.22 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 124.504 1.05 . . . . 0.0 111.334 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.96 124.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.59 1.156 . . . . 0.0 109.162 -177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -124.68 98.97 5.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.5 155.31 75.46 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.585 1.154 . . . . 0.0 110.309 177.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.31 159.82 37.9 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.974 2.449 . . . . 0.0 112.153 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -73.45 -0.88 16.22 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.54 -20.66 66.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.084 0.954 . . . . 0.0 111.506 168.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -126.12 160.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 124.264 1.026 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.51 159.18 15.07 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.05 129.13 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.234 0.614 . . . . 0.0 110.373 169.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -151.3 169.45 21.92 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.204 1.002 . . . . 0.0 110.978 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -77.61 166.65 22.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.77 -0.581 . . . . 0.0 109.637 168.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -30.22 61.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.08 -33.9 76.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.016 0.927 . . . . 0.0 111.417 -175.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.91 -38.55 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.727 0.811 . . . . 0.0 109.102 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . 0.473 ' HA ' HG12 ' E' ' 51' ' ' ILE . 70.5 t80 -55.42 -35.1 65.02 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.557 0.743 . . . . 0.0 112.725 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -65.8 -21.96 66.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.651 0.781 . . . . 0.0 112.388 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -83.89 -26.67 29.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.477 0.711 . . . . 0.0 110.924 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' E' ' 48' ' ' TYR . 4.2 mm -66.83 -56.75 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.613 0.765 . . . . 0.0 109.464 173.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -76.96 2.95 13.33 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.628 0.771 . . . . 0.0 112.503 -170.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.33 67.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.995 0.918 . . . . 0.0 112.817 170.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.56 30.69 0.03 OUTLIER Glycine 0 C--N 1.338 0.688 0 N-CA-C 114.746 0.658 . . . . 0.0 114.746 169.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -159.21 -172.78 3.89 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 111.335 -169.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 9.7 m -123.21 -29.96 3.79 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.174 0.59 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.82 126.6 26.02 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 123.588 0.755 . . . . 0.0 110.13 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -52.46 142.15 49.19 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.491 2.794 . . . . 0.0 113.324 174.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t0 . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 125.238 1.415 . . . . 0.0 112.829 175.558 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.1 149.27 21.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.125 -0.36 . . . . 0.0 111.437 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.21 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 124.088 0.955 . . . . 0.0 108.703 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -131.88 162.24 31.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.749 1.219 . . . . 0.0 109.778 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.37 97.05 4.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 168.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.451 ' HG3' HD11 ' F' ' 12' ' ' ILE . 5.2 mmp_? -110.94 142.19 43.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.481 1.112 . . . . 0.0 110.316 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -96.37 168.67 10.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.32 137.6 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.374 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -4.89 82.13 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.086 0.85 . . . . 0.0 114.106 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.5 171.56 8.83 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.744 1.272 . . . . 0.0 111.919 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 24.7 m -135.25 158.46 44.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.606 0.717 . . . . 0.0 112.362 -170.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.451 HD11 ' HG3' ' F' ' 6' ' ' ARG . 21.6 mt -143.2 153.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 125.241 1.417 . . . . 0.0 107.965 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -135.02 153.06 52.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.771 0.796 . . . . 0.0 112.246 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.32 139.69 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.347 1.459 . . . . 0.0 109.667 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.07 -138.19 47.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -121.52 9.59 10.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.086 0.954 . . . . 0.0 111.776 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.07 -13.9 0.91 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.24 133.84 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 119.124 0.875 . . . . 0.0 110.679 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -129.2 144.31 51.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.009 0.924 . . . . 0.0 110.568 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -124.75 142.19 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.36 1.864 . . . . 0.0 108.272 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -135.63 129.04 32.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 109.885 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.8 109.36 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -82.13 -27.45 32.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.56 0.744 . . . . 0.0 110.987 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.48 -173.16 34.29 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.282 0.468 . . . . 0.0 113.363 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.69 158.95 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 C-N-CA 123.418 0.687 . . . . 0.0 112.153 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -149.8 91.8 1.84 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.837 1.255 . . . . 0.0 109.122 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.72 -103.06 1.28 Allowed Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.842 -0.536 . . . . 0.0 111.933 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -101.46 -19.7 15.44 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 117.448 0.624 . . . . 0.0 112.196 170.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.5 140.62 50.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t -130.49 115.31 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -87.19 127.17 35.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.541 0.736 . . . . 0.0 109.149 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.43 141.42 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 124.047 0.939 . . . . 0.0 110.445 -167.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.23 140.43 16.33 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.059 0.838 . . . . 0.0 111.075 171.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -129.35 136.7 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.186 0.994 . . . . 0.0 109.43 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -130.43 109.65 10.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.909 0.884 . . . . 0.0 109.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.62 157.79 76.51 Favored Pre-proline 0 N--CA 1.454 -0.252 0 C-N-CA 123.779 0.831 . . . . 0.0 111.027 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.74 159.84 43.42 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.814 2.343 . . . . 0.0 112.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.35 -11.72 35.21 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 172.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.91 -15.65 61.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.961 1.304 . . . . 0.0 112.594 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.74 165.28 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.762 0.825 . . . . 0.0 111.156 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.16 159.78 14.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.113 0.565 . . . . 0.0 111.607 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.0 122.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.475 0.71 . . . . 0.0 110.059 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -153.61 174.19 14.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.106 0.962 . . . . 0.0 110.188 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -79.1 162.49 25.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.889 -0.507 . . . . 0.0 110.127 168.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.32 -25.2 67.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.99 0.516 . . . . 0.0 112.279 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -58.51 -43.61 89.18 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.976 0.911 . . . . 0.0 111.775 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.11 -29.93 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.486 0.714 . . . . 0.0 109.616 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.485 ' HA ' HG12 ' F' ' 51' ' ' ILE . 72.1 t80 -51.91 -34.08 39.85 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.022 0.929 . . . . 0.0 112.649 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -66.02 -23.35 66.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.66 -0.65 . . . . 0.0 112.431 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -83.88 -27.57 28.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.505 0.722 . . . . 0.0 111.064 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.485 HG12 ' HA ' ' F' ' 48' ' ' TYR . 5.4 mm -63.54 -48.13 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.375 1.07 . . . . 0.0 109.815 171.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -83.72 3.01 35.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.756 1.222 . . . . 0.0 112.346 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -1.58 11.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.117 0.967 . . . . 0.0 113.463 176.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.23 29.65 0.65 Allowed Glycine 0 CA--C 1.525 0.665 0 CA-C-O 119.14 -0.811 . . . . 0.0 114.004 169.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.02 -57.76 0.55 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.341 1.07 . . . . 0.0 113.808 -170.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m 41.29 42.13 1.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.73 1.212 . . . . 0.0 112.341 -168.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.05 132.46 5.63 Favored Pre-proline 0 N--CA 1.452 -0.363 0 C-N-CA 124.675 1.19 . . . . 0.0 109.419 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.55 -177.58 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.759 2.306 . . . . 0.0 113.303 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 124.069 0.948 . . . . 0.0 112.097 174.659 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C5'-C4'-C3' 110.967 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C4'-C3'-C2' 99.491 -3.209 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 O4'-C1'-N19 112.479 4.279 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 112.042 3.842 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.105 2.905 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C5'-C4'-O4' 114.161 3.544 . 0.097 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 C5'-C4'-C3' 109.071 -4.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.243 3.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 O5'-C5'-C4' 113.351 2.251 . 0.015 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.268 1 C5'-C4'-C3' 109.396 -4.07 . 0.155 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O5'-C5'-C4' 114.484 3.06 . 0.02 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C4'-C3' 107.991 1.779 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 C5'-C4'-C3' 108.386 -4.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 99.76 -2.94 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.604 3.404 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 O4'-C1'-N19 111.059 2.859 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 C4'-C3'-C2' 100.252 -2.448 . 0.389 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.532 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 1 C1'-O4'-C4' 104.762 -5.375 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 1 O4'-C1'-N19 113.148 4.948 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.908 4.708 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C4'-C3'-C2' 100.03 -2.67 . 0.376 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 O4'-C1'-N19 112.51 4.31 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.986 3.786 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 N19-C1'-C2' 109.175 -2.641 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O4'-C1'-N19 111.462 3.262 . 0.622 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C4'-C3' 109.007 2.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 111.904 -2.397 . 0.101 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.722 " H2'" H5'' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.776 -3.149 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . 0.722 H5'' " H2'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O5'-C5'-C4' 117.197 4.998 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 P-O3'-C3' 126.853 5.961 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 O4'-C1'-N19 111.319 3.119 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.514 4.314 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.153 -3.547 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C4'-C3'-C2' 99.255 -3.445 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 112.162 3.962 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 113.679 5.479 . 0.135 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.473 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.325 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.473 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 P-O3'-C3' 122.005 1.921 . 0.1 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 1 O4'-C1'-N19 112.672 4.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 C5'-C4'-C3' 109.37 -4.087 . 0.091 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 2 O4'-C1'-N19 114.424 6.224 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 1 C5'-C4'-C3' 109.47 -4.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.806 3.606 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 O4'-C1'-N19 112.438 4.238 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.191 2.991 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 1 O4'-C1'-N19 112.374 4.174 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . 0.433 ' C2 ' HD23 ' B' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 104.948 3.831 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 99.373 -3.327 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C5'-C4'-C3' 111.086 -2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C5'-C4'-C3' 111.249 -2.834 . 0.427 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 O5'-C5'-C4' 117.089 4.921 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 111.838 -2.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.371 4.171 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C4'-C3'-C2' 100.224 -2.476 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.301 3.101 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 O4'-C1'-N19 112.978 4.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 1 O4'-C1'-N19 113.653 5.453 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C5'-C4'-C3' 109.602 -3.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 O4'-C1'-N19 111.72 3.52 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.234 3.034 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 C3'-C2'-C1' 105.408 4.343 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C5'-C4'-O4' 114.348 3.677 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 P-O3'-C3' 123.689 3.324 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 110.464 2.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 C5'-C4'-C3' 111.673 -2.551 . 0.161 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 2 C5'-C4'-C3' 105.691 -6.539 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 1 P-O3'-C3' 125.615 4.929 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 100.194 -2.506 . 0.931 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.219 4.019 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.519 3.319 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.983 3.87 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 ttp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.774 -0.631 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 112.62 25.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.948 0.794 . . . . 0.0 109.618 -174.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.21 138.63 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.801 0.84 . . . . 0.0 109.459 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -135.05 154.7 51.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.989 0.916 . . . . 0.0 109.922 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.0 m -117.91 101.44 8.29 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.479 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.489 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -107.29 139.07 42.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.068 0.947 . . . . 0.0 110.927 -168.523 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -103.73 156.33 17.89 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.149 0.431 . . . . 0.0 110.608 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.05 124.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.571 0.748 . . . . 0.0 110.917 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.87 -5.18 72.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.214 0.911 . . . . 0.0 114.447 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -95.39 166.9 11.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.643 1.221 . . . . 0.0 111.301 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -137.2 148.99 46.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -168.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.489 HD11 ' HD2' ' A' ' 6' ' ' ARG . 31.8 mm -109.5 155.46 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.7 1.6 . . . . 0.0 109.652 169.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -127.43 138.33 52.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.656 1.182 . . . . 0.0 109.879 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mt -134.11 131.54 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.159 0.983 . . . . 0.0 109.474 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.64 -128.96 30.21 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -127.1 -0.27 6.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.911 0.885 . . . . 0.0 112.364 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -135.7 -17.76 1.69 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 139.03 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 118.697 0.68 . . . . 0.0 110.282 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 m -134.64 143.79 47.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.7 0.8 . . . . 0.0 109.185 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -125.8 138.8 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.643 1.177 . . . . 0.0 108.204 -176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.6 m -134.12 132.89 40.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.293 0.497 . . . . 0.0 110.028 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -82.03 101.19 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 169.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.33 -30.29 63.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.104 -0.373 . . . . 0.0 110.17 -174.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.03 -176.78 43.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 113.73 0.252 . . . . 0.0 113.73 168.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.93 144.4 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 124.056 0.942 . . . . 0.0 111.044 -172.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -138.39 68.71 1.39 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.798 1.239 . . . . 0.0 109.898 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -118.05 6.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -80.85 -12.38 59.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.464 0.706 . . . . 0.0 112.149 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -105.55 149.79 25.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.822 0.82 . . . . 0.0 112.377 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.4 130.41 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 126.75 2.02 . . . . 0.0 108.202 -169.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -109.02 101.95 10.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.149 0.5 . . . . 0.0 110.702 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.66 135.38 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.429 1.491 . . . . 0.0 109.523 -172.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.33 137.91 14.23 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 123.772 0.701 . . . . 0.0 111.557 170.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.05 132.53 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.131 1.372 . . . . 0.0 108.377 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -118.9 76.89 1.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.697 1.199 . . . . 0.0 109.267 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 152.73 45.89 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.786 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.68 154.4 54.42 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.486 2.124 . . . . 0.0 110.474 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -68.01 -5.39 17.09 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.37 -25.59 65.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.992 0.917 . . . . 0.0 112.274 170.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -115.18 144.0 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 121.899 0.857 . . . . 0.0 111.809 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.75 143.09 40.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.356 1.062 . . . . 0.0 111.503 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.26 120.35 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.525 0.73 . . . . 0.0 109.329 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -144.92 -175.96 4.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.293 1.037 . . . . 0.0 110.067 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 164.05 27.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.39 -34.26 68.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.41 1.484 . . . . 0.0 113.672 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -61.14 -19.91 62.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.814 0.846 . . . . 0.0 112.296 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -122.3 -24.97 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 125.612 1.565 . . . . 0.0 110.792 -173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' HD12 ' A' ' 51' ' ' ILE . 48.4 t80 -61.83 -31.61 71.87 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.367 -0.833 . . . . 0.0 110.479 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -74.77 -19.18 60.32 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.054 0.942 . . . . 0.0 111.607 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.93 -37.35 40.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.266 1.026 . . . . 0.0 111.159 170.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.548 HG22 HE21 ' A' ' 52' ' ' GLN . 74.2 mt -62.11 -50.77 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.677 0.791 . . . . 0.0 109.333 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.548 HE21 HG22 ' A' ' 51' ' ' ILE . 85.6 mm-40 -84.16 5.21 27.14 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.615 0.766 . . . . 0.0 112.721 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.91 -23.34 67.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 169.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.94 -5.97 2.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.95 0.785 . . . . 0.0 113.297 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.5 pp -90.34 90.85 8.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.566 1.174 . . . . 0.0 111.716 -171.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -136.2 -15.46 1.71 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.056 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.2 153.88 92.3 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 123.49 0.716 . . . . 0.0 111.187 171.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.33 160.68 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.349 2.699 . . . . 0.0 111.824 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 t70 . . . . . 0 N--CA 1.453 -0.277 0 C-N-CA 125.168 1.387 . . . . 0.0 112.572 174.463 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.5 tpp . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.477 -0.297 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -112.69 121.42 44.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.415 HD11 " H5'" ' G' ' 52' ' ' ' A' . 61.1 mt -117.05 140.13 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -165.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -135.26 135.09 40.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.64 1.176 . . . . 0.0 110.818 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -102.43 105.37 15.94 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' B' ' 12' ' ' ILE . 8.5 mmp_? -121.86 145.16 48.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.556 1.142 . . . . 0.0 111.274 -168.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -91.18 159.47 16.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.437 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.94 130.01 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.197 0.522 . . . . 0.0 110.551 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.99 -5.67 72.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.974 -0.903 . . . . 0.0 114.63 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -87.26 161.65 17.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.208 1.504 . . . . 0.0 111.705 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -128.07 153.2 47.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.739 0.816 . . . . 0.0 111.987 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.467 HD11 ' HG3' ' B' ' 6' ' ' ARG . 11.7 mt -132.76 155.16 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.167 1.387 . . . . 0.0 109.227 -175.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -135.09 130.16 35.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.066 0.546 . . . . 0.0 110.893 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.66 135.63 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 117.071 -1.443 . . . . 0.0 107.373 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' ASP . . . 26.4 118.32 0.0 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 115.842 -2.644 . . . . 0.0 110.029 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.46 4.95 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 120.846 3.647 . . . . 0.0 120.846 -155.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 35.5 m-20 -86.63 -23.74 25.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.911 1.284 . . . . 0.0 112.175 163.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.78 141.13 27.01 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 CA-C-N 121.405 1.911 . . . . 0.0 112.822 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.7 m -134.75 150.53 50.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.254 1.422 . . . . 0.0 109.458 168.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -127.79 148.48 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.506 1.522 . . . . 0.0 108.321 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -141.01 125.8 18.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.768 0.427 . . . . 0.0 110.557 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.42 113.42 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.68 -32.02 28.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.883 -0.511 . . . . 0.0 110.167 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.22 178.68 38.59 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 113.445 0.138 . . . . 0.0 113.445 170.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.3 152.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.202 0.601 . . . . 0.0 110.952 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -134.98 76.93 1.65 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.558 1.143 . . . . 0.0 108.542 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.9 -119.39 5.05 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 9.69 42.96 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.953 0.501 . . . . 0.0 110.704 176.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.96 151.37 20.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.334 1.054 . . . . 0.0 110.034 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 t -139.76 112.06 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.603 0.761 . . . . 0.0 109.147 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -90.99 113.22 25.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.135 1.374 . . . . 0.0 109.233 -174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.36 134.51 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.793 1.237 . . . . 0.0 110.479 -168.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.73 140.5 15.07 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 123.418 0.532 . . . . 0.0 111.804 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.401 HG21 HG11 ' B' ' 42' ' ' VAL . 44.1 mt -119.21 131.06 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.888 0.875 . . . . 0.0 109.25 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -130.72 74.98 1.63 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.166 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 156.32 51.98 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.043 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -56.95 153.59 37.17 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.517 1.478 . . . . 0.0 110.205 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -66.01 -0.72 2.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.272 0.629 . . . . 0.0 111.911 170.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.94 -31.08 71.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.994 1.717 . . . . 0.0 111.981 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.37 144.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.408 1.083 . . . . 0.0 110.326 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.44 141.92 30.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.635 0.731 . . . . 0.0 111.786 169.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.401 HG11 HG21 ' B' ' 34' ' ' ILE . 18.1 t -144.62 98.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.665 -166.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.45 159.35 43.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.826 -0.546 . . . . 0.0 111.754 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 31.5 ptt-85 -65.11 157.37 28.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.702 0.401 . . . . 0.0 111.212 169.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.62 -39.66 74.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.04 -5.92 24.88 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mm -101.44 -51.44 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.036 0.934 . . . . 0.0 109.812 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -50.84 -36.92 40.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.912 1.285 . . . . 0.0 112.198 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.42 -22.19 62.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -174.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -78.12 -42.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.91 0.777 . . . . 0.0 110.201 169.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.513 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.5 mt -63.96 -39.12 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.312 0.645 . . . . 0.0 109.262 -173.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.513 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.6 mm-40 -81.19 4.96 18.39 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 174.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.99 -19.85 43.12 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.177 0.591 . . . . 0.0 111.518 168.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.28 48.53 0.08 OUTLIER Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.987 169.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -176.39 2.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.732 0.766 . . . . 0.0 112.505 -168.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -128.05 -176.97 3.95 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.261 1.425 . . . . 0.0 109.577 168.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -40.96 123.38 1.97 Allowed Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 124.208 1.003 . . . . 0.0 111.536 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 58.7 Cg_exo -62.29 173.32 3.42 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.908 2.405 . . . . 0.0 114.33 -170.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.194 0.998 . . . . 0.0 112.181 176.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.358 -0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 112.21 25.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 168.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.03 135.04 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.857 0.863 . . . . 0.0 110.029 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.57 134.86 48.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.154 0.982 . . . . 0.0 109.803 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -88.79 139.71 30.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 168.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.491 HH21 ' HB ' ' C' ' 22' ' ' ILE . 6.1 mtm180 -131.22 164.01 26.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.348 0.659 . . . . 0.0 109.418 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 10.1 tptm -114.85 153.19 30.9 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.56 132.25 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-N 119.52 1.055 . . . . 0.0 111.893 -172.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.55 -4.4 72.88 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.967 1.27 . . . . 0.0 114.651 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.38 173.21 12.58 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.791 1.795 . . . . 0.0 113.295 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -143.95 155.54 44.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.212 1.405 . . . . 0.0 111.032 -169.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' D' ' 44' ' ' ARG . 39.7 mm -142.11 149.78 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 126.344 1.858 . . . . 0.0 108.41 -171.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.36 140.57 49.01 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.596 0.758 . . . . 0.0 110.855 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -126.65 130.0 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 108.295 170.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.06 -135.15 52.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -168.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -123.94 10.0 8.82 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.853 0.861 . . . . 0.0 111.145 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -123.75 -16.87 6.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.232 1.013 . . . . 0.0 112.98 -169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.7 137.84 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.442 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -125.43 138.68 54.02 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.588 1.155 . . . . 0.0 109.506 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mm -120.02 142.0 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 124.121 0.968 . . . . 0.0 108.848 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -135.7 137.62 41.95 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.286 0.635 . . . . 0.0 110.505 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.491 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.3 tp -95.61 122.11 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.475 HD13 " H1'" ' G' ' 67' ' ' ' C' . 8.9 mt -95.06 -37.41 11.11 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -177.27 43.65 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.004 -0.617 . . . . 0.0 114.291 168.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.53 148.36 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.574 0.75 . . . . 0.0 110.379 170.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.6 m -146.32 109.91 4.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.852 1.261 . . . . 0.0 107.939 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.65 -141.89 29.17 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.239 -169.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -86.96 6.03 34.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.796 0.838 . . . . 0.0 110.846 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.07 145.5 25.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.771 1.628 . . . . 0.0 111.105 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.47 126.02 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.877 0.871 . . . . 0.0 108.707 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -87.11 114.24 23.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -118.29 134.01 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 125.352 1.461 . . . . 0.0 108.845 -173.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.91 143.38 15.79 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.107 0.861 . . . . 0.0 111.836 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -131.25 122.15 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.747 1.219 . . . . 0.0 108.585 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -124.49 95.99 4.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.108 0.563 . . . . 0.0 110.18 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.83 158.15 76.13 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.467 1.107 . . . . 0.0 110.161 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -62.19 152.54 75.49 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.625 2.217 . . . . 0.0 111.227 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.76 -0.87 2.39 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.482 0.713 . . . . 0.0 112.645 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.98 -22.31 66.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.276 1.031 . . . . 0.0 111.463 169.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.61 146.09 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.112 0.965 . . . . 0.0 110.522 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.13 155.48 23.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 122.695 0.398 . . . . 0.0 111.155 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.05 132.17 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -153.87 164.24 38.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.487 0.715 . . . . 0.0 111.261 -176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.662 HH21 HD22 ' D' ' 4' ' ' LEU . 7.7 ptp85 -81.9 158.57 23.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 166.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -60.12 -35.74 75.93 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -169.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.43 -14.47 61.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mm -97.34 -36.81 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.491 0.716 . . . . 0.0 110.634 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -51.29 -36.68 43.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.539 1.136 . . . . 0.0 112.655 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.4 -30.89 67.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 112.358 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -68.03 -36.76 80.47 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.572 0.749 . . . . 0.0 111.899 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.55 ' HA ' HD11 ' C' ' 55' ' ' LEU . 3.1 mp -70.05 -18.94 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 O-C-N 121.975 -0.453 . . . . 0.0 109.886 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -93.2 -0.44 56.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.309 0.643 . . . . 0.0 112.251 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.91 -11.28 26.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.438 1.095 . . . . 0.0 112.862 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 134.18 7.06 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.7 mm? -105.0 -48.67 3.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.076 0.55 . . . . 0.0 110.757 -168.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 25.6 p -86.88 -23.95 25.06 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.986 0.914 . . . . 0.0 111.866 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 87.42 15.88 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 124.301 1.041 . . . . 0.0 109.944 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.5 179.18 3.73 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.245 2.63 . . . . 0.0 113.124 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 N--CA 1.455 -0.212 0 C-N-CA 124.019 0.927 . . . . 0.0 112.579 176.156 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.461 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.14 117.99 31.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.445 1.898 . . . . 0.0 108.955 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.461 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -111.22 138.89 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 125.142 1.377 . . . . 0.0 109.892 -169.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . 0.662 HD22 HH21 ' C' ' 44' ' ' ARG . 64.7 mt -136.69 159.23 42.46 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.502 1.521 . . . . 0.0 111.758 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.76 111.19 18.77 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 166.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.91 148.05 42.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.975 0.51 . . . . 0.0 110.277 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.86 159.54 23.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.158 0.583 . . . . 0.0 110.285 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -55.76 134.37 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.877 0.471 . . . . 0.0 111.205 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.8 -1.57 78.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.097 0.856 . . . . 0.0 114.299 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.97 171.92 8.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.817 1.309 . . . . 0.0 112.01 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -129.5 156.04 44.77 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.0 160.24 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 127.458 2.303 . . . . 0.0 108.6 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -139.87 151.19 45.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.919 0.887 . . . . 0.0 112.786 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.31 139.13 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.096 1.358 . . . . 0.0 109.1 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.67 -139.12 48.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.52 8.71 10.75 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.837 0.855 . . . . 0.0 111.721 170.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -131.66 -12.53 3.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.25 138.27 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 118.723 0.692 . . . . 0.0 110.728 -172.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -122.46 145.96 47.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.441 1.096 . . . . 0.0 109.669 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -128.49 138.83 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.327 1.451 . . . . 0.0 107.862 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -134.69 128.99 34.08 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -85.76 110.46 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -84.8 -28.42 26.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.343 0.657 . . . . 0.0 110.713 -171.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.14 -172.66 38.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.416 0.531 . . . . 0.0 112.826 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.99 160.71 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.627 0.771 . . . . 0.0 111.328 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -143.63 75.77 1.49 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.946 0.899 . . . . 0.0 110.191 171.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -115.22 4.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.459 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.9 mp0 -91.63 -4.45 55.24 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.269 0.628 . . . . 0.0 110.091 170.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -77.2 156.52 31.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.427 0.632 . . . . 0.0 112.581 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.51 123.39 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.077 1.351 . . . . 0.0 107.566 169.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.91 119.94 34.29 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.453 1.101 . . . . 0.0 108.452 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.51 131.57 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 111.259 -167.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.94 142.15 16.02 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.389 0.995 . . . . 0.0 111.367 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.74 138.57 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -138.06 89.94 2.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.83 155.18 63.9 Favored Pre-proline 0 N--CA 1.45 -0.446 0 C-N-CA 124.768 1.227 . . . . 0.0 109.645 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.31 150.12 86.28 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.052 1.835 . . . . 0.0 110.535 169.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.45 -0.97 5.58 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 175.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.59 -23.07 66.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.848 1.259 . . . . 0.0 111.576 168.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.43 157.65 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.164 0.986 . . . . 0.0 110.531 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.72 157.01 16.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -145.76 123.12 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.879 0.471 . . . . 0.0 109.921 168.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -147.54 163.01 37.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.673 0.789 . . . . 0.0 111.212 174.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' C' ' 12' ' ' ILE . 51.8 mtp85 -60.46 157.22 14.46 Favored 'General case' 0 C--O 1.227 -0.131 0 O-C-N 121.923 -0.485 . . . . 0.0 110.178 169.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.46 -33.62 68.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.077 0.399 . . . . 0.0 110.98 169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -57.79 -54.51 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.128 1.371 . . . . 0.0 111.806 171.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.23 -39.39 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.901 0.88 . . . . 0.0 110.312 -174.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -53.08 -39.21 63.17 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.351 1.46 . . . . 0.0 112.116 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.77 -25.45 64.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.44 1.096 . . . . 0.0 112.656 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -73.18 -41.92 63.31 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.169 0.587 . . . . 0.0 110.471 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.66 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.5 mp -71.03 -18.89 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.379 1.472 . . . . 0.0 109.76 177.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -92.06 -2.6 56.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 171.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.05 -47.96 3.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.111 0.964 . . . . 0.0 112.412 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.68 3.93 0.03 OUTLIER Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.136 -0.813 . . . . 0.0 114.539 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 67.62 174.21 0.27 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.983 1.713 . . . . 0.0 111.576 167.172 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -37.76 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 165.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.577 ' HB3' " H2'" ' G' ' 7' ' ' ' C' . . . -136.33 80.01 41.04 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 117.944 0.338 . . . . 0.0 110.502 -175.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -49.81 -36.11 41.55 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 124.614 3.542 . . . . 0.0 114.322 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.084 0.554 . . . . 0.0 111.591 -167.881 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 tt -136.8 120.18 16.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.987 1.315 . . . . 0.0 108.877 171.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.45 136.08 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.818 0.847 . . . . 0.0 109.762 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.25 165.01 22.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.548 1.539 . . . . 0.0 111.138 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 103.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 167.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -113.21 128.01 56.35 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.313 1.445 . . . . 0.0 109.894 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -87.15 164.82 16.17 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 119.402 1.001 . . . . 0.0 112.748 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -58.75 138.53 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.16 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.98 82.96 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 118.985 -0.897 . . . . 0.0 113.922 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -94.48 177.0 6.08 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.927 1.364 . . . . 0.0 112.109 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.3 m -134.28 158.47 43.68 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -169.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -139.96 158.3 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 126.99 2.116 . . . . 0.0 108.203 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -135.29 149.84 49.88 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -136.46 137.42 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.812 1.245 . . . . 0.0 108.947 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -138.28 49.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -121.51 5.2 10.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 111.744 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.4 -6.24 2.59 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.15 135.7 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-N 118.96 0.8 . . . . 0.0 110.762 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -126.86 140.77 52.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.442 1.097 . . . . 0.0 109.663 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -120.49 138.08 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.945 1.298 . . . . 0.0 108.328 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -133.27 125.09 28.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.113 0.565 . . . . 0.0 109.814 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -83.87 103.12 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.34 -29.92 60.1 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.032 -0.418 . . . . 0.0 111.018 -173.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.81 -174.93 34.47 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 123.049 0.357 . . . . 0.0 113.911 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.76 159.56 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.141 0.976 . . . . 0.0 111.926 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -149.94 89.96 1.65 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.699 1.199 . . . . 0.0 109.356 169.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.45 -102.96 1.34 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.754 -0.591 . . . . 0.0 111.884 -177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -100.04 -21.47 15.6 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 117.731 0.766 . . . . 0.0 111.71 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -70.29 144.25 51.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -135.52 116.01 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -89.37 125.16 35.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.462 HD12 HH11 ' F' ' 6' ' ' ARG . 1.4 mt -135.87 131.62 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.029 0.532 . . . . 0.0 110.493 -168.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.79 141.71 15.77 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 124.394 0.997 . . . . 0.0 111.473 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -133.19 121.01 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 108.749 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -120.76 99.3 6.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.24 0.616 . . . . 0.0 109.39 -172.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.72 155.17 75.16 Favored Pre-proline 0 N--CA 1.451 -0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 110.641 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.38 158.98 42.11 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.998 2.465 . . . . 0.0 112.183 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -72.46 -1.06 14.31 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 171.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.54 -21.79 66.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.235 1.014 . . . . 0.0 111.455 168.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -124.38 159.24 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.224 1.01 . . . . 0.0 110.699 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.55 158.64 15.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.144 177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' F' ' 2' ' ' LEU . 0.2 OUTLIER -155.05 125.34 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 122.977 0.511 . . . . 0.0 110.197 168.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -151.09 169.81 20.93 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.117 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -69.0 154.93 41.23 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -61.25 -26.72 67.95 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.85 -49.16 74.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.544 1.138 . . . . 0.0 111.548 170.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.74 -34.53 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.192 0.997 . . . . 0.0 110.141 -171.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.69 -35.6 61.27 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.562 1.145 . . . . 0.0 112.441 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -66.4 -28.73 68.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -73.51 -23.06 59.97 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.477 0.711 . . . . 0.0 110.957 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 80.7 mt -96.35 -35.27 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.328 1.451 . . . . 0.0 109.898 -172.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -81.17 3.09 24.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.642 0.777 . . . . 0.0 113.053 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.81 54.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.881 0.872 . . . . 0.0 113.331 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.62 38.72 0.09 OUTLIER Glycine 0 CA--C 1.525 0.676 0 CA-C-O 119.373 -0.682 . . . . 0.0 113.51 169.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.32 -41.59 0.09 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -169.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 45.46 42.54 7.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.863 1.265 . . . . 0.0 112.238 -169.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.05 129.31 4.43 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.106 0.962 . . . . 0.0 109.986 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.58 143.88 87.04 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.081 2.52 . . . . 0.0 113.352 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.53 0.192 0 C-N-CA 125.823 1.649 . . . . 0.0 113.753 171.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . 0.404 HD12 HG13 ' E' ' 42' ' ' VAL . 7.7 mt -94.52 149.06 21.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.916 -0.49 . . . . 0.0 111.641 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.433 HD11 H5'' ' G' ' 42' ' ' ' C' . 4.4 mp -129.73 134.42 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 168.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -129.05 160.43 32.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.895 1.278 . . . . 0.0 109.507 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.15 97.76 4.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.462 HH11 HD12 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -118.6 160.99 20.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.099 0.56 . . . . 0.0 111.094 172.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -106.29 175.91 5.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.347 0.659 . . . . 0.0 111.572 -170.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.97 137.5 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.122 0.487 . . . . 0.0 112.221 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.56 83.91 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.145 0.879 . . . . 0.0 115.086 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -83.74 170.26 14.38 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.091 1.445 . . . . 0.0 112.122 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -133.66 153.35 51.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.495 0.718 . . . . 0.0 112.627 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -136.05 157.2 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 126.622 1.969 . . . . 0.0 107.612 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -131.04 150.31 52.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.482 0.713 . . . . 0.0 112.07 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.74 142.67 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.777 1.231 . . . . 0.0 109.021 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.84 -139.42 48.6 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -120.57 10.07 11.0 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.278 1.031 . . . . 0.0 112.458 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.15 -22.36 1.17 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.0 138.44 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.52 1.054 . . . . 0.0 111.059 -169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -127.6 144.33 51.08 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 110.653 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 14.5 mm -125.84 130.96 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.412 1.485 . . . . 0.0 108.665 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -130.23 129.71 43.69 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.485 0.714 . . . . 0.0 110.209 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -87.27 113.0 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.59 -32.06 32.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.741 0.416 . . . . 0.0 110.385 -176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.12 -175.31 34.61 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 123.193 0.425 . . . . 0.0 113.544 168.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.12 153.88 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 C-N-CA 123.593 0.757 . . . . 0.0 112.02 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -142.35 90.02 2.21 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.124 1.37 . . . . 0.0 109.012 169.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -102.98 1.14 Allowed Glycine 0 CA--C 1.525 0.686 0 O-C-N 121.845 -0.534 . . . . 0.0 111.93 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.91 -22.41 16.34 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.645 0.723 . . . . 0.0 111.963 170.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -71.82 141.07 49.65 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.071 0.463 . . . . 0.0 110.087 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -131.21 113.75 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -87.02 123.85 32.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.77 135.41 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.868 0.867 . . . . 0.0 109.994 -168.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.12 137.38 13.66 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.975 0.797 . . . . 0.0 111.122 170.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mt -124.93 138.22 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 109.098 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -132.7 106.06 7.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.392 0.677 . . . . 0.0 109.653 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.81 158.05 73.57 Favored Pre-proline 0 N--CA 1.452 -0.337 0 C-N-CA 124.218 1.007 . . . . 0.0 111.366 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.33 162.32 36.8 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.017 2.478 . . . . 0.0 112.19 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.88 -12.46 60.7 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.589 0.756 . . . . 0.0 112.759 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -65.19 -20.5 66.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.929 1.292 . . . . 0.0 112.602 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -127.75 163.06 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.761 0.824 . . . . 0.0 111.108 -176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.83 162.07 13.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.358 0.663 . . . . 0.0 111.279 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 127.73 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.472 0.709 . . . . 0.0 109.864 171.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -154.97 171.3 19.94 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 109.961 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 161.67 27.56 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.75 -0.594 . . . . 0.0 109.921 168.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.47 -25.77 68.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -42.5 79.68 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 0.0 111.734 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -89.97 -31.26 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.985 0.914 . . . . 0.0 109.967 -173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -52.65 -33.27 46.18 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.744 0.818 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -56.65 -21.82 30.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.978 1.711 . . . . 0.0 113.25 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' F' ' 53' ' ' ALA . 3.4 mpt_? -80.92 -44.71 17.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.128 0.571 . . . . 0.0 111.554 172.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.01 -63.07 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 C-N-CA 125.824 1.65 . . . . 0.0 113.772 -167.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 1.63 5.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.812 0.845 . . . . 0.0 112.406 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' F' ' 50' ' ' ARG . . . -75.03 -16.36 60.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.103 0.561 . . . . 0.0 111.918 169.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.14 33.87 0.24 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 123.732 0.682 . . . . 0.0 113.768 169.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.94 177.31 11.29 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 118.116 0.958 . . . . 0.0 111.64 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -132.25 -0.12 3.7 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.79 120.55 12.2 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.806 0.842 . . . . 0.0 110.071 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -62.61 172.67 4.29 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.987 2.458 . . . . 0.0 114.567 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t0 . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 124.638 1.175 . . . . 0.0 111.881 171.348 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.411 3.211 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 111.456 3.256 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.346 4.146 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.8 3.6 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.331 3.146 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.44 " H2'" ' C8 ' ' G' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C5'-C4'-C3' 109.885 -3.744 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.66 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.338 4.138 OUTLIER-EPSILON 0.014 7d . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . 0.44 ' C8 ' " H2'" ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 P-O3'-C3' 126.213 5.427 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O5'-C5'-C4' 113.284 2.203 . 0.032 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 104.819 3.688 . 0.087 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.412 3.212 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.523 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C5'-C4'-C3' 111.322 -2.785 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 108.391 -4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.936 -2.764 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.778 3.578 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 O4'-C1'-N19 111.057 2.857 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.665 4.465 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C5'-C4'-C3' 111.09 -2.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 O4'-C1'-N19 113.628 5.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.436 4.236 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.362 4.162 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C5'-C4'-O4' 112.566 2.404 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 1 O4'-C1'-N19 112.59 4.39 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 O4'-C1'-N19 112.322 4.122 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 N19-C1'-C2' 108.918 -2.801 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 O4'-C1'-N19 111.188 2.988 . 0.575 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 111.723 -2.518 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.444 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 112.285 -2.144 . 0.064 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.444 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C5'-C4'-C3' 111.636 -2.576 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 0 O4'-C1'-N19 111.076 2.876 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . 0.44 " H1'" ' C2 ' ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C4'-C3'-C2' 99.871 -2.829 . 0.017 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.295 3.095 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.351 4.151 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 C4'-C3'-C2' 99.3 -3.4 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.142 2.942 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.231 4.031 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 C5'-C4'-C3' 110.843 -3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.401 " H1'" ' C8 ' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.035 -3.643 . 0.146 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.401 ' C8 ' " H1'" ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.314 0 O5'-C5'-C4' 113.994 2.71 . 0.342 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 112.564 4.364 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 1 C5'-C4'-C3' 108.98 -4.346 . 0.046 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . 0.433 H5'' HD11 ' F' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 O4'-C1'-N19 112.727 4.527 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 1 O4'-C1'-N19 112.617 4.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 O4'-C1'-N19 111.384 3.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 O4'-C1'-N19 112.222 4.022 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 O4'-C1'-N19 111.405 3.205 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 O4'-C1'-N19 112.267 4.067 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C3'-C2'-C1' 104.698 3.553 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C4'-C3'-C2' 99.393 -3.307 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.333 3.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 0 C5'-C4'-C3' 111.19 -2.873 . 0.459 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.415 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.344 1 O5'-C5'-C4' 117.306 5.076 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 112.034 -2.311 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 112.121 3.921 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 100.262 -2.438 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 110.909 2.709 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 1 O4'-C1'-N19 113.069 4.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 113.954 5.754 . 0.416 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.247 4.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 O4'-C1'-N19 111.623 3.423 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 111.831 3.631 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 O4'-C1'-N19 111.626 3.426 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 109.983 -3.678 . 0.502 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 C4'-C3'-C2' 99.362 -3.338 . 0.05 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.273 0 C5'-C4'-C3' 110.879 -3.081 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.475 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.317 2 C3'-C2'-C1' 97.45 -4.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C4'-C3'-C2' 99.99 -2.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 C5'-C4'-C3' 111.362 -2.758 . 0.923 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.016 3.816 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 O4'-C1'-N19 111.321 3.121 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 114.094 5.894 . 0.446 1t . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_